data_2kpf_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 2kpf _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 ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.87 0.367 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 m -50.01 -44.03 50.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.3 mt -56.14 -50.02 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.3 mm -56.07 -46.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.1 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.67 -48.32 72.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.95 -54.62 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.69 -34.69 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.8 mmm -65.69 -46.5 78.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.97 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.69 -52.17 52.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 52.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.123 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.878 0.371 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -49.43 -48.51 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.19 -49.24 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.37 -45.26 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.33 -50.16 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.47 -48.47 71.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.01 -54.79 32.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.67 -34.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 39.8 mmm -65.69 -46.95 77.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.28 82.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.34 -52.17 51.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.3 -58.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.61 -41.04 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.6 -51.99 55.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -57.13 -45.58 83.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 53.4 mt -53.67 -51.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.38 -53.2 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.29 -52.11 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.62 -48.54 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.19 -28.72 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -72.93 -36.66 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.92 -38.16 95.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.5 mm -65.5 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.916 0.389 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -49.91 -43.6 49.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.8 mt -56.32 -50.37 71.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.4 mm -56.07 -45.69 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.56 -49.89 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.71 -48.8 72.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.77 32.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.69 -34.08 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.54 -47.03 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.08 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.62 -51.68 54.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.329 . . . . 0.0 111.17 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.956 0.407 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 62.7 m -48.46 -48.3 37.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 97.3 mt -55.79 -48.28 75.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 34.2 mm -56.34 -46.67 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 19.9 mt -63.83 -50.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -54.27 -47.75 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.69 -54.18 38.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.92 -34.27 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 75.4 mtp -65.42 -46.66 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.9 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.93 -52.08 50.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.28 -58.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.47 -41.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.49 -52.04 55.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -57.17 -44.79 83.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.4 mt -54.22 -51.44 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.45 -53.1 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.48 -51.4 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.4 mm -54.92 -48.84 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.2 m -55.24 -29.12 57.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -72.95 -37.28 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -36.99 93.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.48 -31.78 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.893 0.378 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.7 m -50.01 -44.31 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.6 mt -56.08 -49.86 72.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.05 -46.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.3 mt -63.26 -50.01 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.78 -54.63 33.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.77 -34.46 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 111.151 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.1 mmt -65.68 -46.63 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.79 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.83 -52.04 53.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.3 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.896 0.379 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 54.4 m -48.76 -47.75 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 97.2 mt -56.02 -48.98 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.48 -45.76 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.98 -49.96 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -54.47 -48.69 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.96 -54.94 31.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.3 t -61.47 -34.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 111.089 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 9.9 mmt -65.61 -47.2 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.11 83.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.54 -52.2 50.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.06 -57.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 40.8 mm -55.66 -42.2 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -51.24 59.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -57.32 -47.28 81.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 111.158 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 45.7 mt -52.44 -50.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.34 -53.02 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.3 mt -57.3 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.94 -48.92 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.4 p -55.34 -31.43 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.21 -36.44 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.25 93.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.5 -31.64 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.859 0.361 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -50.09 -50.93 46.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.4 mt -55.59 -50.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.3 mm -56.51 -45.38 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -63.48 -49.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -54.25 -47.78 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.74 -53.6 42.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.61 -34.11 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.05 -47.43 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.58 84.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.03 -52.08 50.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 111.145 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.922 0.391 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 92.0 m -49.35 -49.59 43.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 38.8 mm -56.02 -45.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -65.12 -50.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -54.78 -49.33 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.91 -54.78 31.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.4 -35.44 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 14.5 mmt -66.1 -48.45 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.23 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.7 -50.89 62.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.56 -58.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 111.171 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.67 -40.13 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.57 52.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.07 -44.4 83.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.6 mt -54.31 -51.77 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.3 mt -56.46 -53.14 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.28 -50.57 72.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.79 -47.9 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.9 t -55.25 -30.42 60.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.85 -38.15 67.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.98 -34.7 90.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.06 -30.87 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.956 0.407 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -49.18 -43.3 42.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.8 mt -56.53 -50.27 72.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.04 -46.93 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.21 -49.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -54.84 -46.94 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.7 -54.74 34.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.2 t -61.97 -35.04 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.9 mmt -66.0 -44.39 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.65 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.34 -52.62 50.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 78.9 m -49.43 -49.06 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.06 -49.96 72.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 43.9 mm -56.23 -45.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mm -63.81 -50.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -54.5 -47.42 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.72 -55.11 31.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.68 -34.07 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.76 -45.5 82.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.55 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.88 -52.08 52.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 54.7 t -54.47 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.5 mt -55.72 -43.29 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.86 -51.5 56.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -57.08 -44.09 82.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.114 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 32.3 mm -55.19 -51.17 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.61 -53.54 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.9 mt -57.5 -50.08 74.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 43.5 mt -54.7 -47.63 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.19 -29.62 58.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -72.58 -37.04 68.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.51 94.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.56 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.868 0.366 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.0 m -53.17 -44.82 68.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.3 mt -56.51 -48.91 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.6 mm -56.34 -46.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.7 -50.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -54.43 -48.59 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.07 -55.34 29.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.0 -33.59 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.4 mmt -65.16 -47.7 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.38 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.47 -51.64 52.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 49.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.124 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.946 0.403 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 53.7 m -49.2 -46.73 46.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 76.3 mt -56.4 -48.43 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 33.5 mm -56.2 -46.55 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 16.4 mt -64.09 -50.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -54.3 -47.59 72.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.76 -54.48 36.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.67 -34.26 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.356 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 10.7 mtp -65.26 -46.4 80.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.03 82.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.06 -52.21 49.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 55.4 t -53.27 -57.99 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mm -55.56 -41.26 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.41 -52.01 55.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -57.16 -45.19 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.4 mt -53.87 -51.39 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.42 -53.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.43 -51.38 69.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 26.0 mm -55.25 -49.5 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m -55.16 -29.04 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -72.96 -36.58 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.15 -37.82 94.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.53 -32.12 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.91 0.386 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.7 m -48.94 -41.2 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.38 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.99 -44.54 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -62.86 -49.64 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.77 -47.56 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.61 -54.73 34.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.14 -34.01 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmm -65.84 -47.4 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.24 -51.33 57.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.5 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 88.0 m -49.06 -47.76 44.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.22 -50.14 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 mm -56.03 -45.14 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.84 -50.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.46 -47.66 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.56 -54.49 35.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.21 -34.02 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.73 -46.75 77.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.48 80.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.05 -51.58 55.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 49.9 t -54.02 -57.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.318 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 56.2 mt -55.54 -41.71 65.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.24 -52.16 54.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -57.06 -44.07 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.108 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.2 mt -54.84 -51.37 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.61 -53.51 56.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.34 -49.83 74.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 42.9 mt -54.69 -48.97 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.8 t -55.21 -28.67 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -73.15 -36.95 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.47 94.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.57 -31.68 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.895 0.379 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.1 m -55.5 -45.82 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.1 mt -56.45 -47.62 78.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.3 mm -56.63 -46.84 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.1 mt -63.62 -49.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.58 -48.36 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.98 -54.78 32.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.62 -34.47 62.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.4 mmm -65.57 -46.43 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.41 81.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.3 49.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.537 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.878 0.371 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.7 m -49.29 -47.76 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 40.8 mt -56.27 -49.08 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mm -56.29 -45.64 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.15 -50.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -54.44 -48.83 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.71 -54.89 31.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.73 -34.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.095 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.3 mmt -65.74 -46.39 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.5 81.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.38 -52.3 50.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 55.2 t -53.37 -58.34 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mm -55.59 -40.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.3 -52.36 53.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -56.99 -43.37 81.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 33.9 mt -55.54 -51.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 48.4 mt -56.54 -53.15 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.53 -50.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 62.1 mt -54.95 -48.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t -55.29 -28.38 53.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -73.11 -37.09 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.49 94.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.39 -31.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.5 m -49.79 -47.84 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.6 mt -56.23 -48.43 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.9 mm -55.77 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.12 -50.66 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.34 -48.91 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.73 -56.07 25.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.37 -33.75 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.078 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmt -65.17 -45.02 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.36 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.91 -52.45 48.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.12 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.956 0.408 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m -49.82 -48.2 50.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.19 -48.42 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 44.1 mm -55.84 -46.07 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.12 -50.64 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -54.47 -48.92 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.66 -56.12 25.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.24 -33.76 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.0 mmt -65.28 -45.24 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.99 78.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.07 -52.73 45.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.36 -58.24 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 111.189 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 38.2 mm -55.42 -40.64 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.89 -52.18 54.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -57.22 -44.82 84.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.13 -51.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.6 -52.86 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.4 -51.76 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -54.81 -47.88 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.24 -28.44 53.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.72 -37.08 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.15 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.21 -31.32 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.881 0.372 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -51.13 -45.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.4 mt -56.13 -49.39 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.11 -46.49 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -63.71 -50.02 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.44 -47.95 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.36 -56.22 25.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -60.56 -33.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.3 mmt -65.69 -44.06 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.19 77.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.92 -53.29 38.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 111.152 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.931 0.396 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 87.1 m -49.96 -47.8 52.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -56.25 -48.73 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 37.2 mm -55.94 -46.45 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.29 -50.0 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -54.67 -47.39 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.87 -55.95 27.44 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.67 -33.89 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.071 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 14.8 mmt -65.64 -44.92 84.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.09 83.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.41 -53.25 36.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.46 -59.7 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 111.18 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.21 -39.24 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.67 -52.04 55.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.2 m -57.7 -44.29 85.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 35.6 mm -54.36 -51.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.43 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.5 -51.69 68.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.92 -48.14 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -72.55 -36.78 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.81 -38.12 95.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.38 -33.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.907 0.384 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.6 m -50.28 -50.51 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 mt -55.78 -47.7 76.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.1 mm -56.49 -45.84 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.9 mt -64.85 -50.49 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.47 -49.37 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.18 -55.47 28.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.8 -34.84 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.5 mmt -65.94 -44.02 86.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.78 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.04 -53.5 39.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.923 0.392 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 86.4 m -49.81 -48.3 50.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 mt -56.18 -48.66 75.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 43.9 mm -55.91 -45.57 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -65.12 -51.1 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -54.19 -47.88 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.09 -54.95 31.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 52.9 t -61.07 -35.14 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.2 mtp -65.49 -44.76 86.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.34 77.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.72 -53.21 42.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 55.3 t -52.86 -58.59 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.137 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.1 mm -55.36 -40.74 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.86 -51.96 56.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.33 -43.16 83.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 34.1 mm -55.69 -51.64 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -56.62 -53.51 56.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.19 -50.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.55 -48.51 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t -55.34 -30.66 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.27 -37.02 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.31 94.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.33 -32.29 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.0 m -48.29 -39.96 23.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.31 -52.86 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.3 mm -56.22 -45.45 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.72 -49.6 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -54.94 -47.1 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.68 -54.12 38.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.63 -34.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -47.15 75.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.16 79.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.97 -51.37 59.01 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.164 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.883 0.373 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -47.98 -50.3 27.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 63.6 mt -56.0 -50.0 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 48.2 mm -56.18 -45.15 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.52 -49.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.44 -46.93 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.06 -54.06 39.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.53 -34.43 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmt -65.93 -46.71 77.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.02 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.47 -51.54 57.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 49.1 t -53.92 -56.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 57.7 mt -55.71 -42.06 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -52.12 54.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.1 m -56.93 -44.15 82.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.2 mt -54.99 -51.2 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -56.57 -53.41 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.0 mt -57.46 -50.16 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.8 mt -54.65 -48.05 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.12 -29.18 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.36 -37.83 68.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.76 93.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.2 mt -65.5 -32.09 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.907 0.384 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.6 m -48.66 -39.56 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.4 -53.46 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.9 mm -56.07 -44.63 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.76 -49.46 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.22 -47.94 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.04 -54.17 37.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.64 -34.65 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.93 -47.12 75.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.62 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.77 -51.32 58.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 111.158 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 59.1 m -49.3 -46.79 47.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.21 -49.44 74.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 35.8 mm -55.89 -46.59 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 25.7 mt -63.13 -49.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.35 -46.93 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.15 -53.66 42.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.65 -34.51 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 88.0 mtp -65.75 -46.62 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.1 82.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.67 -51.81 53.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 52.3 t -53.53 -57.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.7 mm -55.45 -41.43 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.22 54.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -57.08 -43.84 82.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.6 mt -55.05 -51.33 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.6 -53.32 58.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.5 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 44.0 mt -54.63 -48.29 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -55.01 -27.35 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -37.32 69.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.4 98.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.6 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.878 0.37 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.8 m -50.01 -43.94 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.1 mt -56.22 -50.42 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.66 -46.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.1 mt -63.02 -49.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.16 -48.09 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.0 -53.37 42.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.72 -35.19 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.5 mtt -65.9 -46.14 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.44 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.38 -52.22 52.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 33.4 m -49.42 -49.23 45.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.28 -49.94 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 33.0 mm -56.49 -44.51 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.55 -49.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.2 -48.82 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.63 -54.2 36.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.39 -34.41 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 46.8 mmm -65.61 -47.03 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.09 82.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.43 -52.09 51.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 50.9 t -53.43 -58.21 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.61 -40.91 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.07 -52.18 54.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -57.18 -43.4 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.68 0.276 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.5 mt -55.63 -51.17 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.76 -53.25 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.76 -50.31 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 72.2 mt -56.91 -48.96 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -55.27 -30.25 59.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -72.57 -36.94 68.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.48 93.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mm -65.27 -30.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.93 0.395 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -43.73 -43.48 6.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.78 -54.15 49.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.5 mm -55.58 -43.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.65 -49.8 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -54.91 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.56 -54.86 33.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.06 -34.38 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmm -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.64 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.32 -51.8 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.956 0.408 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -49.23 -47.21 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.94 -49.45 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 42.3 mm -55.83 -46.77 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.07 -49.93 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.78 -47.34 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.4 -54.18 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.27 -35.03 67.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.98 -45.12 82.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.93 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.62 -52.55 50.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 56.1 t -53.01 -58.71 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.56 -41.27 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.87 -51.63 58.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -57.25 -44.9 84.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.16 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.3 mt -54.39 -51.02 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.51 -53.39 58.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 66.7 mt -57.45 -51.6 68.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.5 mm -54.96 -47.97 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -55.42 -32.6 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -71.94 -36.36 69.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.53 -37.36 93.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.46 -31.3 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.91 0.386 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.8 m -50.0 -44.18 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.09 -50.06 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.97 -46.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.35 -50.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -54.63 -48.53 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.84 -55.0 31.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.45 -34.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.347 . . . . 0.0 111.2 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 mmt -65.43 -46.3 80.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.84 78.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.98 -51.86 54.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.0 mm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -49.42 -47.08 48.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.35 -49.0 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 34.3 mm -56.19 -45.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.28 -50.2 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -54.36 -48.35 71.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.12 -55.17 30.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.43 -33.86 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.51 -46.44 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.31 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.46 -52.12 51.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 52.8 t -53.51 -57.07 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.69 -41.93 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.14 -52.1 54.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.497 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.1 m -56.93 -44.15 82.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.134 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.3 mt -54.94 -51.24 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.63 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.4 -49.98 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.1 mt -54.74 -47.96 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -55.29 -29.45 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -72.44 -37.06 68.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.78 94.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.43 -31.16 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.904 0.383 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 m -49.98 -43.84 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.8 mt -56.26 -50.28 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.7 mm -55.95 -45.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -63.61 -50.13 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -54.57 -48.54 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.79 -54.58 34.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.69 -34.75 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.8 mmm -65.71 -47.13 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.56 81.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.92 -51.93 53.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 49.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.876 0.37 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 64.4 m -49.57 -48.74 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.19 -49.08 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.45 -45.36 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.27 -50.07 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -54.4 -48.89 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.73 -54.73 32.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.73 -34.28 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.098 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 28.8 mmm -65.81 -47.01 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.43 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.13 -51.93 53.34 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.65 -58.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mm -55.63 -40.33 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.52 -52.33 53.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -57.06 -43.48 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mt -55.44 -51.44 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.56 -53.35 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -57.45 -50.67 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.63 -49.29 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.15 -28.7 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.13 -37.06 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.38 94.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.7 mt -65.55 -31.49 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.922 0.391 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.7 m -48.68 -47.6 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -57.9 -55.16 38.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.5 mm -56.56 -42.87 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mm -65.0 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.77 -55.3 30.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.1 t -62.79 -34.77 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.1 mmt -67.32 -47.83 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.58 85.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.85 -51.55 54.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.163 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 42.0 m -50.06 -49.05 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 97.1 mt -56.02 -48.75 75.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 35.3 mm -55.92 -47.25 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mt -62.63 -49.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.37 -45.15 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.27 -51.35 59.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 44.5 t -64.41 -35.56 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.4 mtp -66.41 -43.67 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.84 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.34 40.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 65.4 t -53.88 -58.62 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.164 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 mm -54.91 -40.23 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.17 -51.92 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -57.45 -44.04 84.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 111.101 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mm -54.91 -51.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 mt -56.63 -53.26 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.4 -49.71 75.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.7 mt -54.69 -47.82 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.5 t -55.29 -29.03 57.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.81 -37.38 67.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.69 93.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.44 -32.02 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.9 m -50.02 -48.16 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.75 -49.05 76.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.8 mm -56.18 -45.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.67 -50.49 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.38 -47.89 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.36 -55.93 27.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.64 -33.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 mmt -65.63 -44.78 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.93 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.66 -53.28 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 84.2 m -49.71 -48.16 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.21 -48.37 76.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 38.9 mm -56.04 -46.3 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -64.46 -50.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -54.5 -48.03 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.18 -55.76 27.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.427 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.82 -34.17 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.75 -43.84 87.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.36 -46.49 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.54 -53.29 39.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 66.8 t -53.97 -58.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 37.9 mm -55.44 -39.39 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.85 -52.6 51.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.452 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.35 -43.28 83.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 111.157 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 37.7 mt -55.28 -51.88 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.63 -53.14 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.21 -49.33 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 42.6 mt -54.59 -49.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.8 p -55.33 -31.19 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -36.28 67.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.02 93.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mm -65.42 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.909 0.385 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.9 m -48.15 -39.89 22.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.19 -53.48 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.9 mm -55.93 -44.78 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.57 -49.39 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.21 -46.92 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.85 -54.04 39.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.75 -34.7 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmm -65.97 -46.89 76.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.85 79.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.64 -51.29 58.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.927 0.394 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 94.1 m -49.81 -52.53 31.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 73.3 mt -55.95 -49.78 72.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 34.3 mm -56.64 -44.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.61 -50.18 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -54.45 -46.55 73.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.52 -54.23 38.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.55 -34.12 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -47.13 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.36 81.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.13 -51.48 56.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 47.0 t -53.78 -57.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mm -55.52 -41.15 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.42 -52.23 53.99 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.12 -45.02 83.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.0 mt -53.98 -51.19 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.59 -53.17 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.39 -51.29 70.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 mm -55.27 -45.52 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 3.7 t -55.34 -34.82 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -70.18 -36.36 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.14 -37.29 93.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.5 -31.14 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.1 mtm-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.36 135.76 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.25 177.06 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.9 mt -153.42 158.59 41.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.16 100.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.74 100.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -179.36 163.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.69 150.37 26.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.1 m -158.18 -176.53 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 51.63 69.68 2.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.687 0.756 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 73' ' ' ILE . 54.0 Cg_endo -69.7 -6.33 18.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.749 2.299 . . . . 0.0 112.361 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -80.28 24.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.415 ' H ' ' C ' ' A' ' 71' ' ' PRO . 34.6 mt -53.68 -57.6 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 m -50.01 -44.03 50.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.3 mt -56.14 -50.02 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.3 mm -56.07 -46.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.1 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.67 -48.32 72.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.95 -54.62 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.69 -34.69 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.8 mmm -65.69 -46.5 78.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.97 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.69 -52.17 52.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 52.2 t -53.46 -57.39 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.7 mt -55.57 -41.98 66.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.96 -51.73 56.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -57.15 -45.63 83.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.737 0.303 . . . . 0.0 111.12 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 52.6 mt -53.72 -51.07 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.34 -53.46 57.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 67.7 mt -57.4 -51.61 68.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.2 mm -55.15 -48.91 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.6 t -55.11 -29.1 56.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -73.08 -36.93 66.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.82 -37.34 94.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.47 -32.34 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 97' ' ' ARG . 1.1 ttt180 -74.94 -40.94 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.1 tpp85 76.95 -44.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.4 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 p -167.79 131.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 62.69 149.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 10.1 mt 55.11 -175.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.1 33.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 21.9 t60 46.66 84.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -51.32 119.48 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.42 170.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.7 t -164.37 -167.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -149.01 71.08 10.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.28 6.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.383 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -168.52 -64.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.2 mt -49.8 -52.25 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -49.43 -48.51 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.19 -49.24 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.37 -45.26 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.33 -50.16 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.47 -48.47 71.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.01 -54.79 32.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.67 -34.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 39.8 mmm -65.69 -46.95 77.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.28 82.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.34 -52.17 51.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.3 -58.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.61 -41.04 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.6 -51.99 55.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.1 m -57.13 -45.58 83.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 53.4 mt -53.67 -51.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.38 -53.2 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.29 -52.11 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.62 -48.54 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.19 -28.72 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -72.93 -36.66 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.92 -38.16 95.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.5 mm -65.5 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -74.91 -33.05 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 62.87 27.65 16.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.2 m -151.79 156.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -78.03 176.5 9.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.51 -177.13 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.96 38.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.79 175.11 14.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -176.07 82.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.12 175.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.0 150.87 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -135.9 72.66 61.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.758 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 73' ' ' ILE . 54.0 Cg_endo -69.74 -6.12 17.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 0.0 112.325 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -80.32 24.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.416 ' H ' ' C ' ' A' ' 71' ' ' PRO . 29.8 mt -54.44 -57.68 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -49.91 -43.6 49.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.8 mt -56.32 -50.37 71.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.4 mm -56.07 -45.69 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.56 -49.89 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.71 -48.8 72.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.77 32.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.69 -34.08 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.54 -47.03 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.08 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.62 -51.68 54.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.1 t -53.68 -57.92 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.329 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mm -55.71 -40.92 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.67 -52.32 53.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.15 -44.44 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.149 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.1 mt -54.42 -51.49 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 mt -56.48 -53.06 61.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.9 mt -57.39 -51.26 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.5 mm -54.89 -49.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -55.11 -29.52 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -73.03 -36.85 67.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.02 93.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 52.4 mt -65.56 -32.09 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -75.0 -38.47 61.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 58.62 26.3 14.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.02 148.47 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -79.5 175.42 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 65.5 mt -153.38 130.39 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.68 32.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 46.5 84.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -175.83 71.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.47 168.07 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -168.91 -167.36 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -156.97 68.19 4.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -11.38 30.7 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.622 2.215 . . . . 0.0 112.366 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -51.71 -60.38 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.47 -54.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 62.7 m -48.46 -48.3 37.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 97.3 mt -55.79 -48.28 75.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 34.2 mm -56.34 -46.67 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 19.9 mt -63.83 -50.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -54.27 -47.75 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.69 -54.18 38.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.92 -34.27 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 75.4 mtp -65.42 -46.66 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.9 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.93 -52.08 50.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.28 -58.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.47 -41.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.49 -52.04 55.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -57.17 -44.79 83.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.4 mt -54.22 -51.44 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.45 -53.1 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.48 -51.4 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.4 mm -54.92 -48.84 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.2 m -55.24 -29.12 57.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -72.95 -37.28 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -36.99 93.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.48 -31.78 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -42.71 56.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 52.48 29.39 6.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.31 123.83 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.43 157.59 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mt 53.48 -170.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.29 31.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -170.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -174.52 35.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -62.13 171.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.25 134.72 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.84 67.65 80.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' C ' ' H ' ' A' ' 73' ' ' ILE . 54.1 Cg_endo -69.77 -6.55 18.87 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.32 24.81 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.42 ' H ' ' C ' ' A' ' 71' ' ' PRO . 38.8 mt -53.03 -57.64 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.7 m -50.01 -44.31 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.6 mt -56.08 -49.86 72.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.05 -46.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.3 mt -63.26 -50.01 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.78 -54.63 33.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.77 -34.46 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 111.151 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.1 mmt -65.68 -46.63 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.79 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.83 -52.04 53.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.3 t -53.52 -57.3 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.8 mt -55.71 -41.68 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.44 -52.09 54.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.437 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.1 m -56.91 -44.21 82.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.302 . . . . 0.0 111.13 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.1 mt -54.98 -51.16 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 mt -56.61 -53.45 57.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.46 -50.17 73.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.2 mt -54.74 -46.36 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 t -55.32 -34.69 64.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -70.81 -36.53 73.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.37 -36.48 92.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.48 -31.41 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -43.21 56.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 61.62 76.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.4 t 52.38 89.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -81.35 175.3 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 65.7 mt -153.37 133.34 13.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.06 92.29 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 26.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -179.93 160.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.48 167.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.21 132.29 41.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -173.78 65.65 0.31 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.1 -49.75 18.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.6 mm -48.75 -54.13 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 54.4 m -48.76 -47.75 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 97.2 mt -56.02 -48.98 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.48 -45.76 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.98 -49.96 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -54.47 -48.69 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.96 -54.94 31.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.3 t -61.47 -34.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 111.089 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 9.9 mmt -65.61 -47.2 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.11 83.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.54 -52.2 50.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.06 -57.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 40.8 mm -55.66 -42.2 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -51.24 59.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -57.32 -47.28 81.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 111.158 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 45.7 mt -52.44 -50.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.34 -53.02 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.3 mt -57.3 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.94 -48.92 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.4 p -55.34 -31.43 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.21 -36.44 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.25 93.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.5 -31.64 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -74.99 -42.66 57.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 53.08 28.64 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 36.9 t -122.98 88.57 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 62.67 149.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.55 177.92 7.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 71.91 59.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -155.1 30.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -175.59 114.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.34 166.91 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.9 t -168.02 -169.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.475 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . 0.8 OUTLIER -76.31 -61.79 0.77 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.624 0.726 . . . . 0.0 110.874 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 53.7 Cg_endo -69.77 99.55 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -164.8 -49.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.7 mt -52.58 -49.74 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -50.09 -50.93 46.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.4 mt -55.59 -50.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.3 mm -56.51 -45.38 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -63.48 -49.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -54.25 -47.78 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.74 -53.6 42.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.61 -34.11 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.05 -47.43 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.58 84.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.03 -52.08 50.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.44 -57.82 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.9 mm -55.52 -41.45 63.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.39 -53.44 46.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -55.04 -43.25 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.731 0.3 . . . . 0.0 111.158 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.7 mt -56.94 -47.92 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.9 mt -58.02 -55.57 33.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.91 -50.8 72.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.26 -49.72 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.6 p -55.18 -30.01 59.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -73.01 -37.19 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.21 92.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.43 -30.99 51.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -43.47 53.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 53.63 27.85 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t 63.64 106.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -81.86 175.38 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.4 mt -153.45 112.42 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.96 93.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.34 95.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.53 35.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.38 170.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -56.78 174.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -123.53 74.85 53.67 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.659 0.742 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 123.91 10.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.388 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -174.53 -60.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 mp -48.0 -51.3 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 92.0 m -49.35 -49.59 43.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 38.8 mm -56.02 -45.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -65.12 -50.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -54.78 -49.33 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.91 -54.78 31.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.4 -35.44 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 14.5 mmt -66.1 -48.45 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.23 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.7 -50.89 62.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.56 -58.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 111.171 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.67 -40.13 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.57 52.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.07 -44.4 83.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.6 mt -54.31 -51.77 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.3 mt -56.46 -53.14 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.28 -50.57 72.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.79 -47.9 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.9 t -55.25 -30.42 60.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.85 -38.15 67.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.98 -34.7 90.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.06 -30.87 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -45.48 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.88 23.77 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' VAL . 32.4 ttp180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' ARG . 2.4 p 35.67 82.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.39 174.86 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -158.87 -174.97 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.07 99.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 28.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.61 157.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.34 168.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.62 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 51.54 68.25 3.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.643 0.735 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -34.84 13.72 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -164.11 25.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.8 -58.72 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -49.18 -43.3 42.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.8 mt -56.53 -50.27 72.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.04 -46.93 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.21 -49.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -54.84 -46.94 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.7 -54.74 34.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.2 t -61.97 -35.04 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.9 mmt -66.0 -44.39 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.65 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.34 -52.62 50.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.9 t -53.66 -57.87 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.9 mt -55.62 -41.24 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.74 -51.72 57.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.6 m -57.2 -45.41 83.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.169 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 41.0 mt -54.06 -50.9 51.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.55 -53.43 57.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.6 mt -57.39 -51.51 69.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 mm -54.77 -48.47 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -55.31 -30.49 60.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -72.61 -37.3 68.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.6 -36.2 92.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.44 -32.08 56.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -30.74 61.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 59.31 26.74 15.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.96 -176.25 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 62.58 149.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 50.0 mt 55.31 -176.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.6 77.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -64.57 -171.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.49 -63.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.0 143.78 36.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t 47.76 -164.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.492 ' CB ' ' CD ' ' B' ' 71' ' ' PRO . 0.2 OUTLIER -171.95 -62.29 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 110.882 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' B' ' 70' ' ' GLU . 54.4 Cg_endo -69.74 76.91 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -178.77 -60.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm -49.58 -51.74 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 78.9 m -49.43 -49.06 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.06 -49.96 72.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 43.9 mm -56.23 -45.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mm -63.81 -50.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -54.5 -47.42 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.72 -55.11 31.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.68 -34.07 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.76 -45.5 82.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.55 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.88 -52.08 52.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 54.7 t -54.47 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.5 mt -55.72 -43.29 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.86 -51.5 56.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -57.08 -44.09 82.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.114 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 32.3 mm -55.19 -51.17 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.61 -53.54 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.9 mt -57.5 -50.08 74.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 43.5 mt -54.7 -47.63 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.19 -29.62 58.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -72.58 -37.04 68.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.51 94.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.56 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -75.0 -41.95 58.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 52.9 29.24 7.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 m -147.72 136.13 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.96 176.89 8.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.17 92.86 1.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.79 75.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 94.72 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -52.53 171.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.56 167.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 47.92 -165.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -162.42 67.56 1.96 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 73' ' ' ILE . 53.9 Cg_endo -69.75 -22.94 31.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -80.96 23.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.406 ' H ' ' C ' ' A' ' 71' ' ' PRO . 0.5 OUTLIER -48.93 -54.97 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.0 m -53.17 -44.82 68.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.3 mt -56.51 -48.91 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.6 mm -56.34 -46.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.7 -50.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -54.43 -48.59 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.07 -55.34 29.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.0 -33.59 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.4 mmt -65.16 -47.7 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.38 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.47 -51.64 52.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 49.9 t -53.86 -60.23 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.64 -38.13 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.28 -52.57 50.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -57.39 -43.04 83.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.707 0.289 . . . . 0.0 111.127 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.1 mt -55.59 -51.71 55.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.7 -53.04 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.48 -49.59 75.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.7 mt -54.58 -47.54 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -55.3 -29.75 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -72.42 -37.13 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.53 -37.48 94.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.3 mt -65.47 -31.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -40.76 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 55.94 25.98 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 m -134.48 124.07 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.85 157.99 34.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -163.99 177.55 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.02 101.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -155.13 120.85 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.52 115.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.65 168.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -74.57 -170.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.492 ' CB ' ' CD ' ' B' ' 71' ' ' PRO . 2.7 mt-10 -170.69 -62.44 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' B' ' 70' ' ' GLU . 54.2 Cg_endo -69.73 82.26 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.05 -40.09 60.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mt -49.54 -54.18 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 53.7 m -49.2 -46.73 46.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 76.3 mt -56.4 -48.43 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 33.5 mm -56.2 -46.55 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 16.4 mt -64.09 -50.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -54.3 -47.59 72.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.76 -54.48 36.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.67 -34.26 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.356 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 10.7 mtp -65.26 -46.4 80.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.03 82.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.06 -52.21 49.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 55.4 t -53.27 -57.99 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mm -55.56 -41.26 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.41 -52.01 55.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -57.16 -45.19 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.4 mt -53.87 -51.39 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.42 -53.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.43 -51.38 69.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 26.0 mm -55.25 -49.5 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m -55.16 -29.04 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -72.96 -36.58 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.15 -37.82 94.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.53 -32.12 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -39.34 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 57.4 27.76 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.7 t -106.56 76.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 62.61 148.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -163.28 41.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.2 88.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.75 32.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -175.93 106.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -58.93 139.05 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.89 174.79 8.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.505 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . 2.1 mt-10 -91.53 -62.93 0.19 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 53.6 Cg_endo -69.76 2.32 3.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 20.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.43 ' H ' ' C ' ' A' ' 71' ' ' PRO . 39.6 mt -61.02 -60.38 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.7 m -48.94 -41.2 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.38 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.99 -44.54 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -62.86 -49.64 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.77 -47.56 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.61 -54.73 34.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.14 -34.01 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmm -65.84 -47.4 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.24 -51.33 57.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.93 -57.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.56 -41.39 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.2 53.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.523 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -57.21 -44.93 84.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.6 mt -53.88 -51.49 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.44 -53.14 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.37 -51.27 70.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.86 -48.15 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.5 t -55.26 -29.8 58.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -72.67 -37.58 67.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.13 92.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.44 -31.85 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -42.95 57.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 54.15 27.32 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.3 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.03 127.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -74.92 155.27 37.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -163.46 169.07 19.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.17 33.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 138.78 44.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.62 36.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.92 -63.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -155.18 -176.83 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -137.31 73.54 50.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -172.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -165.13 -60.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.5 mt -49.98 -53.37 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 88.0 m -49.06 -47.76 44.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.22 -50.14 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 mm -56.03 -45.14 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.84 -50.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.46 -47.66 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.56 -54.49 35.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.21 -34.02 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.73 -46.75 77.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.48 80.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.05 -51.58 55.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 49.9 t -54.02 -57.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.318 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 56.2 mt -55.54 -41.71 65.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.24 -52.16 54.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -57.06 -44.07 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.108 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.2 mt -54.84 -51.37 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.61 -53.51 56.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.34 -49.83 74.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 42.9 mt -54.69 -48.97 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.8 t -55.21 -28.67 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -73.15 -36.95 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.47 94.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.57 -31.68 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -74.14 -26.89 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 63.16 27.39 15.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.84 150.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 62.58 148.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -165.08 152.09 10.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.2 29.31 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.31 163.42 27.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -51.2 103.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -54.4 133.73 45.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -168.34 -176.66 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -157.37 66.81 3.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.675 0.75 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 73' ' ' ILE . 53.4 Cg_endo -69.72 -31.32 20.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.738 2.292 . . . . 0.0 112.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.94 23.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.409 ' H ' ' C ' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -45.34 -52.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.1 m -55.5 -45.82 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.1 mt -56.45 -47.62 78.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.3 mm -56.63 -46.84 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.1 mt -63.62 -49.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.58 -48.36 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.98 -54.78 32.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.62 -34.47 62.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.4 mmm -65.57 -46.43 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.41 81.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.3 49.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.537 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.18 -58.45 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 mm -55.42 -41.13 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.98 -53.15 48.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 m -55.28 -42.45 73.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 111.148 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.4 mt -57.54 -48.63 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.78 -55.18 38.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mp -57.98 -50.14 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.2 mt -56.73 -47.97 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.9 t -55.13 -29.78 58.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -72.44 -36.95 68.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.65 -37.92 95.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.48 -31.86 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -73.99 -27.2 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.95 25.47 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 5.8 m -143.2 72.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.96 176.47 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.73 42.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.98 90.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.069 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.81 96.46 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.57 104.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -53.91 52.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.5 t 71.54 -166.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -155.37 68.08 5.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 143.38 50.85 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -173.74 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 mm -49.66 -53.15 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.7 m -49.29 -47.76 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 40.8 mt -56.27 -49.08 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mm -56.29 -45.64 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.15 -50.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -54.44 -48.83 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.71 -54.89 31.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.73 -34.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.095 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.3 mmt -65.74 -46.39 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.5 81.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.38 -52.3 50.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 55.2 t -53.37 -58.34 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mm -55.59 -40.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.3 -52.36 53.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -56.99 -43.37 81.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 33.9 mt -55.54 -51.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 48.4 mt -56.54 -53.15 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.53 -50.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 62.1 mt -54.95 -48.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t -55.29 -28.38 53.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -73.11 -37.09 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.49 94.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.39 -31.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -42.53 57.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 53.77 28.0 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.832 0.349 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 m -76.75 -177.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -74.55 156.83 36.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.2 mt -153.43 -175.44 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.14 101.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -64.69 -178.24 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.41 148.92 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.78 168.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 47.84 -164.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 51.26 69.37 2.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -38.85 7.26 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.42 -53.78 51.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.7 mt -49.54 -52.58 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.5 m -49.79 -47.84 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.6 mt -56.23 -48.43 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.9 mm -55.77 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.12 -50.66 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.34 -48.91 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.73 -56.07 25.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.37 -33.75 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.078 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmt -65.17 -45.02 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.36 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.91 -52.45 48.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.04 -57.25 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.3 mt -55.52 -41.43 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.33 -51.98 55.38 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -57.08 -45.15 83.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.175 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 54.9 mt -54.12 -51.1 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -56.5 -53.31 58.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.1 mt -57.31 -51.29 69.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.95 -47.17 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.6 t -55.22 -29.83 58.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.01 -36.97 69.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.6 -37.97 95.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.59 -31.66 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -68.97 -27.79 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 7.0 ttt180 76.97 -44.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.6 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 t -145.29 73.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -83.32 150.05 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -161.86 150.19 15.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.32 -79.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 46.28 84.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -176.39 -52.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.46 168.29 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.9 t 71.67 -165.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -130.35 69.37 82.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -37.35 9.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.01 -56.24 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 51.4 mm -49.37 -52.24 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m -49.82 -48.2 50.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.19 -48.42 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 44.1 mm -55.84 -46.07 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.12 -50.64 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -54.47 -48.92 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.66 -56.12 25.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.24 -33.76 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.0 mmt -65.28 -45.24 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.99 78.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.07 -52.73 45.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.36 -58.24 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 111.189 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 38.2 mm -55.42 -40.64 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.89 -52.18 54.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -57.22 -44.82 84.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.13 -51.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.6 -52.86 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.4 -51.76 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -54.81 -47.88 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.24 -28.44 53.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.72 -37.08 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.15 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.21 -31.32 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -43.91 49.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.54 27.96 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -84.77 65.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.93 155.23 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.28 38.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.87 57.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.81 94.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -54.42 175.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -169.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.77 -42.9 62.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 50.82 75.03 0.7 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.663 0.744 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' C ' ' H ' ' A' ' 73' ' ' ILE . 53.5 Cg_endo -69.81 -7.05 20.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.713 2.276 . . . . 0.0 112.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.61 24.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.405 ' H ' ' C ' ' A' ' 71' ' ' PRO . 49.9 mm -50.23 -56.67 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -51.13 -45.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.4 mt -56.13 -49.39 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.11 -46.49 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -63.71 -50.02 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.44 -47.95 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.36 -56.22 25.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -60.56 -33.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.3 mmt -65.69 -44.06 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.19 77.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.92 -53.29 38.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.2 t -53.97 -58.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.6 mm -54.98 -40.17 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.25 -51.95 56.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -57.36 -44.55 84.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.814 0.34 . . . . 0.0 111.152 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mm -54.49 -51.35 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.7 mt -56.58 -53.4 58.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.38 -49.65 75.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.2 mt -54.62 -47.95 71.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 p -55.32 -28.56 54.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -72.76 -37.23 67.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.962 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.88 95.05 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.43 -31.74 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -74.59 -27.38 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 60.1 28.82 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 m -53.97 101.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.99 162.44 19.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.2 mt 55.26 -176.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.9 -80.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.81 41.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -176.18 93.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.58 169.32 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -167.28 -167.76 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.53 72.99 1.59 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.656 0.741 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 179.2 3.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -165.79 -57.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 56.4 mt -49.62 -52.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 87.1 m -49.96 -47.8 52.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -56.25 -48.73 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 37.2 mm -55.94 -46.45 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.29 -50.0 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -54.67 -47.39 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.87 -55.95 27.44 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.67 -33.89 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.071 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 14.8 mmt -65.64 -44.92 84.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.09 83.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.41 -53.25 36.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.46 -59.7 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 111.18 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.21 -39.24 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.67 -52.04 55.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.2 m -57.7 -44.29 85.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 35.6 mm -54.36 -51.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.43 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.5 -51.69 68.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.92 -48.14 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -72.55 -36.78 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.81 -38.12 95.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.38 -33.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -74.8 -29.69 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 62.8 28.08 16.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER 63.78 157.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 62.7 148.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -158.03 41.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.15 101.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.68 111.69 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.51 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.51 172.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.7 t -61.77 -167.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 4.0 pt-20 -54.08 158.35 3.69 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.684 0.754 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 70' ' ' GLU . 53.4 Cg_endo -69.79 153.89 68.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -176.26 -57.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -50.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.6 m -50.28 -50.51 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 mt -55.78 -47.7 76.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.1 mm -56.49 -45.84 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.9 mt -64.85 -50.49 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.47 -49.37 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.18 -55.47 28.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.8 -34.84 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.5 mmt -65.94 -44.02 86.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.78 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.04 -53.5 39.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.1 t -54.03 -59.54 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.5 mm -55.54 -38.01 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.42 -52.16 53.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 m -57.4 -43.82 84.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.317 . . . . 0.0 111.167 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.5 mt -55.45 -52.28 48.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -56.42 -52.58 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.29 -50.92 71.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.5 mt -55.65 -47.51 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.9 m -55.25 -31.19 61.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -37.49 69.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.46 -35.64 92.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.56 -31.44 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 111.103 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -42.1 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 52.75 29.35 7.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 20.1 ptt85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.918 0.39 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -118.78 87.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.99 175.1 9.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 26.8 mt 54.88 80.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.42 88.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t60 46.6 84.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.59 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -48.19 80.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -69.17 163.53 24.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -117.58 68.79 5.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -170.94 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.296 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -164.93 -64.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mt -49.83 -52.07 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 86.4 m -49.81 -48.3 50.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 mt -56.18 -48.66 75.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 43.9 mm -55.91 -45.57 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -65.12 -51.1 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -54.19 -47.88 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.09 -54.95 31.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 52.9 t -61.07 -35.14 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.2 mtp -65.49 -44.76 86.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.34 77.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.72 -53.21 42.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 55.3 t -52.86 -58.59 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.137 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.1 mm -55.36 -40.74 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.86 -51.96 56.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.33 -43.16 83.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 34.1 mm -55.69 -51.64 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -56.62 -53.51 56.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.19 -50.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.55 -48.51 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t -55.34 -30.66 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.27 -37.02 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.31 94.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.33 -32.29 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -43.55 52.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.43 26.99 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 28.0 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.9 m -152.63 157.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 62.51 149.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -165.11 140.28 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.63 58.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.98 171.24 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -51.16 142.86 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.82 150.52 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -154.82 -177.8 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -156.73 68.61 4.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.65 33.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.268 . . . . 0.0 112.37 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.33 48.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.57 -64.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.0 m -48.29 -39.96 23.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.6 mt -57.31 -52.86 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.3 mm -56.22 -45.45 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.72 -49.6 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -54.94 -47.1 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.68 -54.12 38.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.63 -34.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -47.15 75.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.16 79.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.97 -51.37 59.01 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.4 t -53.98 -57.22 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.164 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.6 mt -55.74 -41.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.84 -52.17 53.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -57.07 -45.62 83.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.759 0.314 . . . . 0.0 111.13 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.7 mt -53.41 -51.41 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.38 -53.01 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.23 -52.01 67.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -55.6 -49.21 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -55.32 -30.51 60.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -36.19 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.33 -37.31 93.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.59 -32.17 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -41.59 58.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.814 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? 63.21 29.47 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.09 101.18 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 62.66 149.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mt 54.69 89.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.69 39.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 136.11 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -51.57 111.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -65.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -65.68 -166.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' B' ' 71' ' ' PRO . 5.1 tt0 -179.36 -59.28 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' B' ' 70' ' ' GLU . 53.6 Cg_endo -69.78 72.51 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.76 -55.11 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mt -50.19 -52.21 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -47.98 -50.3 27.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 63.6 mt -56.0 -50.0 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 48.2 mm -56.18 -45.15 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.52 -49.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.44 -46.93 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.06 -54.06 39.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.53 -34.43 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmt -65.93 -46.71 77.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.02 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.47 -51.54 57.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 49.1 t -53.92 -56.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 57.7 mt -55.71 -42.06 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -52.12 54.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.1 m -56.93 -44.15 82.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.2 mt -54.99 -51.2 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -56.57 -53.41 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.0 mt -57.46 -50.16 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.8 mt -54.65 -48.05 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.12 -29.18 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.36 -37.83 68.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.76 93.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.2 mt -65.5 -32.09 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -74.94 -39.77 61.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 56.87 26.38 11.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.2 149.28 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.71 149.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 pp -164.65 161.24 20.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.2 37.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.33 25.61 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.91 35.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -58.8 136.86 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 m -167.14 -176.59 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -163.96 67.38 1.51 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -23.83 30.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.25 49.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.55 -63.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.6 m -48.66 -39.56 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.4 -53.46 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.9 mm -56.07 -44.63 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.76 -49.46 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.22 -47.94 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.04 -54.17 37.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.64 -34.65 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.93 -47.12 75.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.62 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.77 -51.32 58.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.8 t -53.99 -57.98 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.2 mm -55.59 -40.93 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.75 -52.23 54.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.14 -44.49 83.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.133 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.2 mt -54.42 -51.49 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.48 -53.14 60.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.36 -51.24 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 mm -55.56 -46.7 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.34 -34.48 64.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -70.69 -35.96 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.5 -37.32 93.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.436 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.5 mm -65.59 -31.6 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 111.061 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 97' ' ' ARG . 1.0 OUTLIER -72.42 -40.67 66.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.4 tpt180 76.92 -44.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.917 0.389 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.6 p -151.31 143.97 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 62.56 149.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.16 80.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.88 59.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 40.5 t60 46.54 84.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -51.22 113.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.05 168.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.23 160.3 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -119.35 74.08 15.32 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.621 0.725 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 78.14 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -75.06 -42.54 56.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mt -50.35 -54.26 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 59.1 m -49.3 -46.79 47.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.21 -49.44 74.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 35.8 mm -55.89 -46.59 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 25.7 mt -63.13 -49.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.35 -46.93 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.15 -53.66 42.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.65 -34.51 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 88.0 mtp -65.75 -46.62 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.1 82.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.67 -51.81 53.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 52.3 t -53.53 -57.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.7 mm -55.45 -41.43 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.22 54.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -57.08 -43.84 82.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.6 mt -55.05 -51.33 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.6 -53.32 58.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.5 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 44.0 mt -54.63 -48.29 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -55.01 -27.35 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -37.32 69.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.4 98.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.6 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' B' ' 97' ' ' ARG . 0.0 OUTLIER -74.96 -38.78 61.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' B' ' 96' ' ' ARG . 8.4 ttm180 76.88 -44.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.91 149.66 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -75.81 165.61 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -153.63 -169.63 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.42 32.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 172.01 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.807 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -174.81 54.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.55 174.59 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.07 138.77 24.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -133.22 72.09 76.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 73' ' ' ILE . 54.1 Cg_endo -69.71 -6.29 18.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -80.34 24.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.416 ' H ' ' C ' ' A' ' 71' ' ' PRO . 33.7 mt -53.72 -57.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.8 m -50.01 -43.94 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.1 mt -56.22 -50.42 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.66 -46.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.1 mt -63.02 -49.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.16 -48.09 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.0 -53.37 42.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.72 -35.19 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.5 mtt -65.9 -46.14 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.44 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.38 -52.22 52.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.9 t -53.31 -57.8 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.44 -41.68 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.51 -52.32 53.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -56.77 -43.74 81.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.142 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.6 mt -55.3 -51.48 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.45 -53.43 57.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.55 -50.57 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.01 -49.59 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.9 p -55.25 -29.79 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -72.97 -36.6 67.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.18 -36.97 93.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.5 mm -65.45 -31.85 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -42.49 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.97 77.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 24.6 t -92.14 68.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 62.6 149.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt 55.02 89.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.2 31.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -157.05 99.99 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.56 40.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.36 168.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.84 145.49 9.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 51.22 68.51 3.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.652 0.739 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -48.22 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -67.56 -47.68 69.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mm -49.9 -51.44 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 33.4 m -49.42 -49.23 45.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.28 -49.94 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 33.0 mm -56.49 -44.51 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.55 -49.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.2 -48.82 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.63 -54.2 36.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.39 -34.41 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 46.8 mmm -65.61 -47.03 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.09 82.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.43 -52.09 51.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 50.9 t -53.43 -58.21 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.61 -40.91 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.07 -52.18 54.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -57.18 -43.4 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.68 0.276 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.5 mt -55.63 -51.17 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.76 -53.25 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.76 -50.31 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 72.2 mt -56.91 -48.96 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -55.27 -30.25 59.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -72.57 -36.94 68.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.48 93.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mm -65.27 -30.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' B' ' 97' ' ' ARG . 0.0 OUTLIER -74.66 -44.17 51.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' B' ' 96' ' ' ARG . 0.8 OUTLIER 76.8 -44.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.4 t 63.38 77.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -85.06 170.45 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -163.17 168.91 20.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 46.69 35.73 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.29 99.58 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -176.01 77.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -59.36 149.92 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 m 48.29 -168.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -130.76 67.57 80.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 4.62 2.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 35.2 mm-40 -158.38 59.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.62 -65.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -43.73 -43.48 6.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 72' ' ' GLU . 16.5 mt -56.78 -54.15 49.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.5 mm -55.58 -43.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.65 -49.8 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -54.91 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.56 -54.86 33.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.06 -34.38 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmm -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.64 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.32 -51.8 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.0 t -54.33 -55.45 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.0 mt -55.7 -43.88 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.11 -51.32 56.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 m -57.18 -45.35 83.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.154 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.9 mm -53.92 -51.09 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.0 mt -56.51 -53.26 59.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.47 -51.24 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.1 mm -54.78 -48.5 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.4 m -55.27 -31.05 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -72.54 -37.02 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.89 -36.11 92.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.48 -32.4 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -75.08 -32.08 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 56.7 28.92 14.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 5.6 m -144.8 161.86 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -75.0 161.6 29.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 68.8 mt 55.11 -176.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.7 57.68 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 46.79 84.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.0 166.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -37.22 85.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t 48.17 -165.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 53.13 68.5 2.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.738 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 100.63 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -52.0 -57.72 8.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt -49.59 -54.12 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -49.23 -47.21 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.94 -49.45 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 42.3 mm -55.83 -46.77 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.07 -49.93 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.78 -47.34 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.4 -54.18 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.27 -35.03 67.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.98 -45.12 82.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.93 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.62 -52.55 50.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 56.1 t -53.01 -58.71 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mm -55.56 -41.27 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.87 -51.63 58.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -57.25 -44.9 84.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.16 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.3 mt -54.39 -51.02 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.51 -53.39 58.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 66.7 mt -57.45 -51.6 68.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.5 mm -54.96 -47.97 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -55.42 -32.6 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -71.94 -36.36 69.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.53 -37.36 93.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.46 -31.3 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -27.06 60.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 76.83 -44.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.4 m -81.0 150.3 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -84.19 148.44 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -162.68 -171.46 2.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.06 102.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -76.21 60.16 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -175.29 67.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.3 168.55 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.6 t -162.79 -167.47 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -157.94 68.28 3.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.411 ' C ' ' H ' ' A' ' 73' ' ' ILE . 53.9 Cg_endo -69.78 -6.44 18.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.45 24.87 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.411 ' H ' ' C ' ' A' ' 71' ' ' PRO . 33.1 mt -53.6 -57.45 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.8 m -50.0 -44.18 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.09 -50.06 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.97 -46.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.35 -50.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -54.63 -48.53 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.84 -55.0 31.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.45 -34.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.347 . . . . 0.0 111.2 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 mmt -65.43 -46.3 80.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.84 78.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.98 -51.86 54.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.1 t -53.69 -57.13 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.9 mt -55.59 -42.09 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.83 -51.99 54.82 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 m -57.03 -44.99 83.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.6 mt -54.15 -51.21 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.9 mt -56.5 -53.38 58.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.8 mt -57.4 -51.41 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.6 mm -55.96 -48.18 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -55.04 -27.47 44.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -72.34 -36.37 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.15 97.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.2 mp -65.7 -37.51 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.34 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -73.08 -37.38 66.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.67 25.54 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.413 ' O ' ' CG2' ' B' ' 62' ' ' VAL . 28.6 mmm-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' B' ' 61' ' ' ARG . 11.5 m 43.64 -165.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 62.59 148.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -164.68 133.8 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.09 -80.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.02 105.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.67 93.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.48 170.65 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.39 137.33 52.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -138.93 73.73 38.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 78.4 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.412 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.29 -46.65 87.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.0 mm -49.65 -53.75 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -49.42 -47.08 48.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.35 -49.0 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 34.3 mm -56.19 -45.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.28 -50.2 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -54.36 -48.35 71.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.12 -55.17 30.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.43 -33.86 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.51 -46.44 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.31 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.46 -52.12 51.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 52.8 t -53.51 -57.07 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.69 -41.93 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.14 -52.1 54.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.497 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.1 m -56.93 -44.15 82.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.134 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 38.3 mt -54.94 -51.24 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.63 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.4 -49.98 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.1 mt -54.74 -47.96 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -55.29 -29.45 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -72.44 -37.06 68.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.78 94.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.43 -31.16 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -73.55 -29.21 62.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.56 25.59 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' O ' HG12 ' A' ' 62' ' ' VAL . 16.5 mmt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER 63.73 157.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 62.61 149.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 pp -161.61 176.98 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 72.21 99.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -64.72 174.7 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -176.38 143.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.29 150.17 27.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.82 160.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -144.45 80.9 11.58 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 73' ' ' ILE . 53.9 Cg_endo -69.76 -6.35 18.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -80.21 24.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.419 ' H ' ' C ' ' A' ' 71' ' ' PRO . 32.7 mt -53.44 -57.9 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 m -49.98 -43.84 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.8 mt -56.26 -50.28 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.7 mm -55.95 -45.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -63.61 -50.13 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -54.57 -48.54 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.79 -54.58 34.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.69 -34.75 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.8 mmm -65.71 -47.13 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.56 81.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.92 -51.93 53.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 49.8 t -53.54 -58.53 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.2 mm -55.64 -40.33 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.62 -52.33 53.72 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 m -56.92 -43.59 81.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 111.177 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.8 mt -55.46 -51.39 57.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.46 -53.36 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.972 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.54 -50.78 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 69.7 mt -56.06 -48.35 79.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.9 m -55.24 -28.77 55.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.808 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -72.84 -37.26 67.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.44 -37.33 94.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.58 -31.62 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -37.29 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 56.77 29.29 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.5 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.3 p 37.7 42.99 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.94 176.52 9.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.8 mt -153.41 124.47 7.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.62 93.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -69.0 114.39 7.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -51.31 104.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -60.72 -177.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t 71.54 -165.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -145.54 74.43 13.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 106.71 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -174.76 -58.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -49.65 -51.89 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 64.4 m -49.57 -48.74 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.19 -49.08 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.45 -45.36 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.27 -50.07 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -54.4 -48.89 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.73 -54.73 32.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.73 -34.28 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.098 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 28.8 mmm -65.81 -47.01 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.43 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.13 -51.93 53.34 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.65 -58.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mm -55.63 -40.33 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.52 -52.33 53.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -57.06 -43.48 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mt -55.44 -51.44 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.56 -53.35 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -57.45 -50.67 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.63 -49.29 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.15 -28.7 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.13 -37.06 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.38 94.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.7 mt -65.55 -31.49 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -74.74 -27.46 60.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 62.58 28.86 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.8 p -160.74 123.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.14 176.76 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 pp -162.13 169.26 21.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 46.75 47.73 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -158.93 84.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.79 160.83 0.94 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -25.12 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 m -155.09 -177.07 6.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.01 73.3 18.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 77.52 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.644 2.23 . . . . 0.0 112.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -156.7 22.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.23 -53.03 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.7 m -48.68 -47.6 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -57.9 -55.16 38.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.5 mm -56.56 -42.87 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mm -65.0 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.77 -55.3 30.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.1 t -62.79 -34.77 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.1 mmt -67.32 -47.83 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.58 85.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.85 -51.55 54.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.8 t -54.52 -60.62 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.163 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.6 mp -54.92 -38.21 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.16 -52.54 52.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.0 m -57.73 -43.74 85.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.5 mm -54.57 -52.08 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.42 -52.53 64.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 43.2 mt -57.4 -51.5 69.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.83 -48.74 80.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.8 t -54.78 -27.41 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -36.29 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.4 97.18 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.6 mp -65.64 -37.16 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -75.04 -27.11 59.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 56.29 25.65 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 p -124.56 131.12 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -74.54 157.62 35.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.8 39.89 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.87 57.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -158.98 118.82 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -51.21 135.94 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.27 135.13 56.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.6 t -74.86 -167.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.2 75.6 2.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.02 61.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -173.24 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.8 mp -49.96 -51.14 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 42.0 m -50.06 -49.05 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 97.1 mt -56.02 -48.75 75.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 35.3 mm -55.92 -47.25 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mt -62.63 -49.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.37 -45.15 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.27 -51.35 59.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 44.5 t -64.41 -35.56 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.4 mtp -66.41 -43.67 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.84 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.34 40.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 65.4 t -53.88 -58.62 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.164 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 mm -54.91 -40.23 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.17 -51.92 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -57.45 -44.04 84.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 111.101 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mm -54.91 -51.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 mt -56.63 -53.26 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.4 -49.71 75.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.7 mt -54.69 -47.82 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.5 t -55.29 -29.03 57.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.81 -37.38 67.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.69 93.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.44 -32.02 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -75.07 -26.56 59.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.96 25.57 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.7 t -145.06 97.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.45 176.72 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -155.11 179.58 9.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 71.96 31.33 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.11 166.47 31.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -176.3 80.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -176.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 t -69.24 -68.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 50.95 74.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 77.44 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -159.94 32.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.5 mt -48.0 -54.95 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.9 m -50.02 -48.16 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.75 -49.05 76.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.8 mm -56.18 -45.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.67 -50.49 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.38 -47.89 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.36 -55.93 27.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.64 -33.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 mmt -65.63 -44.78 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.93 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.66 -53.28 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.8 t -53.51 -57.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.5 mm -54.86 -42.13 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.31 -53.36 46.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.551 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -54.93 -43.96 73.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.797 0.332 . . . . 0.0 111.159 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -56.21 -47.81 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.03 -55.19 38.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.98 -50.9 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 mm -56.4 -47.7 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 64.6 m -55.34 -29.71 58.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -72.36 -37.0 68.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.66 -37.76 94.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.46 -30.95 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 111.107 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -73.97 -42.25 60.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 52.38 29.74 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.848 0.356 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -125.18 102.16 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 148.5 39.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 81.6 mt -153.68 164.4 38.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.89 55.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.67 67.47 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -55.62 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -94.43 -39.57 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.8 m 48.23 -167.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.68 163.58 1.37 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.654 0.74 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 120.51 7.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -53.95 -27.79 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm -49.28 -52.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 84.2 m -49.71 -48.16 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.21 -48.37 76.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 38.9 mm -56.04 -46.3 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -64.46 -50.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -54.5 -48.03 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.18 -55.76 27.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.427 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.82 -34.17 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.75 -43.84 87.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.36 -46.49 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.54 -53.29 39.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 66.8 t -53.97 -58.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 37.9 mm -55.44 -39.39 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.85 -52.6 51.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.452 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.35 -43.28 83.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 111.157 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 37.7 mt -55.28 -51.88 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.63 -53.14 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.21 -49.33 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 42.6 mt -54.59 -49.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.8 p -55.33 -31.19 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -36.28 67.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.02 93.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mm -65.42 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.71 56.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 52.08 29.65 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 9.9 tt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.982 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.87 111.47 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -83.9 177.33 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -159.63 -171.24 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.14 -78.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 46.85 85.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.73 127.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -58.3 159.55 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.4 149.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -157.52 74.69 4.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.663 0.745 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -31.42 20.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.11 49.78 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -62.69 -64.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.9 m -48.15 -39.89 22.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.19 -53.48 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.9 mm -55.93 -44.78 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.57 -49.39 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.21 -46.92 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.85 -54.04 39.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.75 -34.7 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmm -65.97 -46.89 76.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.85 79.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.64 -51.29 58.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.7 t -53.98 -57.79 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.2 mm -55.44 -41.21 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.83 -52.12 55.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -57.11 -43.62 82.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.7 mt -55.31 -51.36 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.58 -53.35 58.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.42 -50.09 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.7 mt -55.75 -53.12 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 m -53.82 -28.64 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -36.29 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.42 -42.16 97.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.6 -38.38 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -75.29 -39.98 59.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.11 26.73 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.935 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.45 124.22 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -74.36 175.99 7.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -163.74 -170.58 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.78 39.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.96 160.2 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.63 46.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -51.03 155.12 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.62 146.43 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -157.45 68.87 4.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.663 0.744 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 -48.57 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.48 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 67.9 mt -49.85 -47.99 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 94.1 m -49.81 -52.53 31.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 73.3 mt -55.95 -49.78 72.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 34.3 mm -56.64 -44.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.61 -50.18 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -54.45 -46.55 73.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.52 -54.23 38.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.55 -34.12 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -47.13 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.36 81.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.13 -51.48 56.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 47.0 t -53.78 -57.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 40.1 mm -55.52 -41.15 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.42 -52.23 53.99 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.12 -45.02 83.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 40.0 mt -53.98 -51.19 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.59 -53.17 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.39 -51.29 70.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 mm -55.27 -45.52 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 3.7 t -55.34 -34.82 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -70.18 -36.36 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.14 -37.29 93.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.5 -31.14 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -74.36 -42.0 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.44 24.2 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.87 0.367 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 m -50.01 -44.03 50.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 32.3 mt -56.14 -50.02 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.64 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -56.07 -46.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.1 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.67 -48.32 72.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.682 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.95 -54.62 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.708 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.9 t -61.69 -34.69 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.8 mmm -65.69 -46.5 78.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.97 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.571 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.69 -52.17 52.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.473 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.555 HG13 ' OG1' ' B' ' 87' ' ' THR . 52.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.878 0.371 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -49.43 -48.51 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.64 HD22 HD11 ' A' ' 76' ' ' ILE . 96.4 mt -56.19 -49.24 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 33.7 mm -56.37 -45.26 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.33 -50.16 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.47 -48.47 71.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.708 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.01 -54.79 32.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.4 t -61.67 -34.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 39.8 mmm -65.69 -46.95 77.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.28 82.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.596 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.34 -52.17 51.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 80' ' ' VAL . 52.0 t -53.3 -58.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.549 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.61 -41.04 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.6 -51.99 55.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.555 ' OG1' HG13 ' A' ' 84' ' ' VAL . 3.1 m -57.13 -45.58 83.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' B' ' 85' ' ' ILE . 53.4 mt -53.67 -51.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.38 -53.2 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.29 -52.11 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.469 HD13 HG22 ' B' ' 87' ' ' THR . 1.4 mp -55.62 -48.54 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.19 -28.72 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -72.93 -36.66 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.92 -38.16 95.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.5 mm -65.5 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.916 0.389 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -49.91 -43.6 49.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.011 HD22 HD11 ' B' ' 76' ' ' ILE . 34.8 mt -56.32 -50.37 71.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.695 HD11 HD22 ' B' ' 75' ' ' LEU . 50.4 mm -56.07 -45.69 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.56 -49.89 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.71 -48.8 72.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.691 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.69 -54.77 32.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.706 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.4 t -61.69 -34.08 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.54 -47.03 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.08 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.554 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.62 -51.68 54.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 80' ' ' VAL . 48.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.329 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.956 0.407 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 62.7 m -48.46 -48.3 37.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 76' ' ' ILE . 97.3 mt -55.79 -48.28 75.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 1.011 HD11 HD22 ' A' ' 75' ' ' LEU . 34.2 mm -56.34 -46.67 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.552 HG22 ' SD ' ' B' ' 81' ' ' MET . 19.9 mt -63.83 -50.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -54.27 -47.75 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.706 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.69 -54.18 38.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.2 t -61.92 -34.27 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.552 ' SD ' HG22 ' B' ' 77' ' ' ILE . 75.4 mtp -65.42 -46.66 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.9 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.562 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.93 -52.08 50.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 80' ' ' VAL . 53.7 t -53.28 -58.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.645 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.47 -41.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.49 -52.04 55.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.437 ' OG1' HG13 ' A' ' 84' ' ' VAL . 3.0 m -57.17 -44.79 83.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.137 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.4 mt -54.22 -51.44 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.45 -53.1 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.48 -51.4 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.4 mm -54.92 -48.84 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.2 m -55.24 -29.12 57.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -72.95 -37.28 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -36.99 93.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.48 -31.78 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.893 0.378 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.7 m -50.01 -44.31 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.015 HD22 HD11 ' B' ' 76' ' ' ILE . 32.6 mt -56.08 -49.86 72.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.716 HD11 HD22 ' B' ' 75' ' ' LEU . 50.2 mm -56.05 -46.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.3 mt -63.26 -50.01 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.709 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.78 -54.63 33.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.721 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.7 t -61.77 -34.46 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.1 mmt -65.68 -46.63 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.79 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.593 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.83 -52.04 53.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 80' ' ' VAL . 51.3 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.896 0.379 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 54.4 m -48.76 -47.75 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 76' ' ' ILE . 97.2 mt -56.02 -48.98 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 1.015 HD11 HD22 ' A' ' 75' ' ' LEU . 33.7 mm -56.48 -45.76 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.98 -49.96 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -54.47 -48.69 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.721 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.96 -54.94 31.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.507 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.3 t -61.47 -34.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 9.9 mmt -65.61 -47.2 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.11 83.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.592 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.54 -52.2 50.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 80' ' ' VAL . 50.6 t -53.06 -57.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.549 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.8 mm -55.66 -42.2 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -51.24 59.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.579 HG22 HD13 ' B' ' 91' ' ' ILE . 2.0 m -57.32 -47.28 81.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' B' ' 85' ' ' ILE . 45.7 mt -52.44 -50.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.34 -53.02 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 87' ' ' THR . 7.3 mt -57.3 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.579 HD13 HG22 ' B' ' 87' ' ' THR . 1.6 mp -55.94 -48.92 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.4 p -55.34 -31.43 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.21 -36.44 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.25 93.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.5 -31.64 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.859 0.361 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -50.09 -50.93 46.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.7 HD22 HD11 ' B' ' 76' ' ' ILE . 89.4 mt -55.59 -50.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.518 HG12 HD23 ' B' ' 75' ' ' LEU . 29.3 mm -56.51 -45.38 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -63.48 -49.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -54.25 -47.78 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.596 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.74 -53.6 42.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.537 HG22 ' O ' ' B' ' 79' ' ' GLY . 45.2 t -62.61 -34.11 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.05 -47.43 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.58 84.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.484 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -63.03 -52.08 50.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 80' ' ' VAL . 46.5 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.922 0.391 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 92.0 m -49.35 -49.59 43.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 76' ' ' ILE . 6.4 mp -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.7 HD11 HD22 ' A' ' 75' ' ' LEU . 38.8 mm -56.02 -45.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -65.12 -50.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -54.78 -49.33 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.537 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -54.91 -54.78 31.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.4 t -61.4 -35.44 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 14.5 mmt -66.1 -48.45 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.23 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.522 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -60.7 -50.89 62.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 80' ' ' VAL . 39.5 t -54.56 -58.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.663 ' HA ' HD12 ' B' ' 88' ' ' ILE . 63.4 mt -55.67 -40.13 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.57 52.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.07 -44.4 83.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' B' ' 85' ' ' ILE . 38.6 mt -54.31 -51.77 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.3 mt -56.46 -53.14 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.28 -50.57 72.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.79 -47.9 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.9 t -55.25 -30.42 60.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.85 -38.15 67.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.98 -34.7 90.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.06 -30.87 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.956 0.407 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -49.18 -43.3 42.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.784 HD22 HD11 ' B' ' 76' ' ' ILE . 37.8 mt -56.53 -50.27 72.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.627 HD11 HD22 ' B' ' 75' ' ' LEU . 48.7 mm -56.04 -46.93 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.21 -49.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -54.84 -46.94 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.708 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.7 -54.74 34.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.725 HG22 ' O ' ' B' ' 79' ' ' GLY . 49.2 t -61.97 -35.04 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.9 mmt -66.0 -44.39 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.65 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.572 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.34 -52.62 50.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 78.9 m -49.43 -49.06 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.627 HD22 HD11 ' A' ' 76' ' ' ILE . 96.0 mt -56.06 -49.96 72.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.784 HD11 HD22 ' A' ' 75' ' ' LEU . 43.9 mm -56.23 -45.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mm -63.81 -50.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -54.5 -47.42 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.725 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.72 -55.11 31.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.0 t -61.68 -34.07 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.76 -45.5 82.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.55 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.569 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.88 -52.08 52.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 54.7 t -54.47 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.5 mt -55.72 -43.29 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.86 -51.5 56.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.841 HG22 HD11 ' B' ' 91' ' ' ILE . 1.9 m -57.08 -44.09 82.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.114 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 32.3 mm -55.19 -51.17 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.61 -53.54 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.9 mt -57.5 -50.08 74.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.841 HD11 HG22 ' B' ' 87' ' ' THR . 43.5 mt -54.7 -47.63 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.19 -29.62 58.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -72.58 -37.04 68.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.51 94.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.56 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.868 0.366 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.0 m -53.17 -44.82 68.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.006 HD22 HD11 ' B' ' 76' ' ' ILE . 32.3 mt -56.51 -48.91 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.585 HD11 HD22 ' B' ' 75' ' ' LEU . 49.6 mm -56.34 -46.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.7 -50.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -54.43 -48.59 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.719 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.07 -55.34 29.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.71 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.1 t -61.0 -33.59 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.4 mmt -65.16 -47.7 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.38 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.566 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.47 -51.64 52.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 80' ' ' VAL . 49.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.946 0.403 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 53.7 m -49.2 -46.73 46.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 76' ' ' ILE . 76.3 mt -56.4 -48.43 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 1.006 HD11 HD22 ' A' ' 75' ' ' LEU . 33.5 mm -56.2 -46.55 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.555 HG22 ' SD ' ' B' ' 81' ' ' MET . 16.4 mt -64.09 -50.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -54.3 -47.59 72.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.71 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.76 -54.48 36.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.8 t -61.67 -34.26 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.356 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.555 ' SD ' HG22 ' B' ' 77' ' ' ILE . 10.7 mtp -65.26 -46.4 80.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.03 82.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.558 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.06 -52.21 49.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.4 t -53.27 -57.99 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.64 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.56 -41.26 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.41 -52.01 55.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -57.16 -45.19 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.4 mt -53.87 -51.39 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.42 -53.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.43 -51.38 69.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 26.0 mm -55.25 -49.5 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m -55.16 -29.04 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -72.96 -36.58 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.15 -37.82 94.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.53 -32.12 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.91 0.386 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.7 m -48.94 -41.2 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 HD11 ' B' ' 76' ' ' ILE . 96.0 mt -57.38 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.54 HD11 HD22 ' B' ' 75' ' ' LEU . 44.6 mm -55.99 -44.54 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -62.86 -49.64 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.77 -47.56 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.67 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.61 -54.73 34.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.674 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.6 t -62.14 -34.01 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmm -65.84 -47.4 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.548 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.24 -51.33 57.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 80' ' ' VAL . 46.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.5 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 88.0 m -49.06 -47.76 44.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.54 HD22 HD11 ' A' ' 76' ' ' ILE . 95.6 mt -56.22 -50.14 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.412 ' O ' HG23 ' B' ' 80' ' ' VAL . 45.7 mm -56.03 -45.14 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.84 -50.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.46 -47.66 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.674 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.56 -54.49 35.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.7 t -62.21 -34.02 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.73 -46.75 77.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.48 80.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.532 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.05 -51.58 55.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 49.9 t -54.02 -57.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.318 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.684 ' HA ' HD12 ' B' ' 88' ' ' ILE . 56.2 mt -55.54 -41.71 65.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.24 -52.16 54.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.842 HG22 HD11 ' B' ' 91' ' ' ILE . 2.4 m -57.06 -44.07 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.108 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.2 mt -54.84 -51.37 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.61 -53.51 56.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.34 -49.83 74.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.842 HD11 HG22 ' B' ' 87' ' ' THR . 42.9 mt -54.69 -48.97 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.8 t -55.21 -28.67 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -73.15 -36.95 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.47 94.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.57 -31.68 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.895 0.379 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.1 m -55.5 -45.82 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.92 HD22 HD11 ' B' ' 76' ' ' ILE . 31.1 mt -56.45 -47.62 78.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 80' ' ' VAL . 43.3 mm -56.63 -46.84 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.1 mt -63.62 -49.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.58 -48.36 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.706 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.98 -54.78 32.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.712 HG22 ' O ' ' B' ' 79' ' ' GLY . 45.8 t -61.62 -34.47 62.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.4 mmm -65.57 -46.43 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.41 81.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.609 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -62.63 -52.3 49.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.537 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.53 HG13 ' OG1' ' B' ' 87' ' ' THR . 54.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.878 0.371 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.7 m -49.29 -47.76 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.415 HD22 HD11 ' A' ' 76' ' ' ILE . 40.8 mt -56.27 -49.08 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.92 HD11 HD22 ' A' ' 75' ' ' LEU . 32.1 mm -56.29 -45.64 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.15 -50.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -54.44 -48.83 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.71 -54.89 31.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.2 t -61.73 -34.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.3 mmt -65.74 -46.39 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.5 81.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.618 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.38 -52.3 50.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.2 t -53.37 -58.34 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.59 -40.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.3 -52.36 53.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.748 HG22 HD11 ' B' ' 91' ' ' ILE . 2.7 m -56.99 -43.37 81.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 85' ' ' ILE . 33.9 mt -55.54 -51.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 48.4 mt -56.54 -53.15 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.53 -50.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.748 HD11 HG22 ' B' ' 87' ' ' THR . 62.1 mt -54.95 -48.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t -55.29 -28.38 53.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -73.11 -37.09 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.49 94.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.39 -31.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.5 m -49.79 -47.84 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.647 HD22 HD11 ' B' ' 76' ' ' ILE . 62.6 mt -56.23 -48.43 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.648 HD11 HD22 ' B' ' 75' ' ' LEU . 43.9 mm -55.77 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.12 -50.66 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.34 -48.91 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.751 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.73 -56.07 25.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.752 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.7 t -60.37 -33.75 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.078 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmt -65.17 -45.02 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.36 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.606 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -62.91 -52.45 48.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.956 0.408 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m -49.82 -48.2 50.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.648 HD22 HD11 ' A' ' 76' ' ' ILE . 63.4 mt -56.19 -48.42 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.647 HD11 HD22 ' A' ' 75' ' ' LEU . 44.1 mm -55.84 -46.07 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.12 -50.64 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -54.47 -48.92 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.752 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.66 -56.12 25.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.0 t -60.24 -33.76 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 111.089 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.0 mmt -65.28 -45.24 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.99 78.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.573 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.07 -52.73 45.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 54.6 t -53.36 -58.24 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 111.189 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' B' ' 88' ' ' ILE . 38.2 mm -55.42 -40.64 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.89 -52.18 54.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.519 HG22 HD13 ' B' ' 91' ' ' ILE . 3.0 m -57.22 -44.82 84.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' B' ' 85' ' ' ILE . 55.3 mt -54.13 -51.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.6 -52.86 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.4 -51.76 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.519 HD13 HG22 ' B' ' 87' ' ' THR . 1.4 mp -54.81 -47.88 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.24 -28.44 53.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.72 -37.08 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.15 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.21 -31.32 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.881 0.372 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -51.13 -45.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.965 HD22 HD11 ' B' ' 76' ' ' ILE . 33.4 mt -56.13 -49.39 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 HD22 ' B' ' 75' ' ' LEU . 51.6 mm -56.11 -46.49 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -63.71 -50.02 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.44 -47.95 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.744 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.36 -56.22 25.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.754 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.9 t -60.56 -33.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.3 mmt -65.69 -44.06 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.19 77.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.546 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.92 -53.29 38.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 80' ' ' VAL . 64.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.931 0.396 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 87.1 m -49.96 -47.8 52.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.646 HD22 HD11 ' A' ' 76' ' ' ILE . 93.6 mt -56.25 -48.73 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.965 HD11 HD22 ' A' ' 75' ' ' LEU . 37.2 mm -55.94 -46.45 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.29 -50.0 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -54.67 -47.39 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.754 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.87 -55.95 27.44 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 79' ' ' GLY . 58.7 t -60.67 -33.89 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.071 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.469 ' O ' HD13 ' B' ' 85' ' ' ILE . 14.8 mmt -65.64 -44.92 84.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.09 83.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.551 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -64.41 -53.25 36.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 80' ' ' VAL . 64.3 t -53.46 -59.7 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 111.18 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.469 HD13 ' O ' ' B' ' 81' ' ' MET . 1.5 mp -55.21 -39.24 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.67 -52.04 55.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.493 HG22 HD13 ' B' ' 91' ' ' ILE . 4.2 m -57.7 -44.29 85.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 35.6 mm -54.36 -51.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.43 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.5 -51.69 68.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.493 HD13 HG22 ' B' ' 87' ' ' THR . 1.4 mp -55.92 -48.14 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -72.55 -36.78 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.81 -38.12 95.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.38 -33.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.907 0.384 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.6 m -50.28 -50.51 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 HD11 ' B' ' 76' ' ' ILE . 62.2 mt -55.78 -47.7 76.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.56 HD11 HD22 ' B' ' 75' ' ' LEU . 41.1 mm -56.49 -45.84 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.9 mt -64.85 -50.49 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.47 -49.37 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.725 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.18 -55.47 28.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.724 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.2 t -60.8 -34.84 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.5 mmt -65.94 -44.02 86.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.78 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.601 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.04 -53.5 39.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 80' ' ' VAL . 70.1 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.923 0.392 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 86.4 m -49.81 -48.3 50.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.56 HD22 HD11 ' A' ' 76' ' ' ILE . 32.0 mt -56.18 -48.66 75.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.711 HD11 HD22 ' A' ' 75' ' ' LEU . 43.9 mm -55.91 -45.57 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -65.12 -51.1 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -54.19 -47.88 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.724 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.09 -54.95 31.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 79' ' ' GLY . 52.9 t -61.07 -35.14 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.2 mtp -65.49 -44.76 86.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.34 77.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.599 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.72 -53.21 42.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.3 t -52.86 -58.59 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.1 mm -55.36 -40.74 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.86 -51.96 56.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.653 HG22 ' CD1' ' B' ' 91' ' ' ILE . 3.2 m -57.33 -43.16 83.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 34.1 mm -55.69 -51.64 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -56.62 -53.51 56.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.19 -50.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.653 ' CD1' HG22 ' B' ' 87' ' ' THR . 95.9 mt -57.55 -48.51 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t -55.34 -30.66 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.27 -37.02 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.31 94.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.33 -32.29 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.0 m -48.29 -39.96 23.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.754 HD22 HD11 ' B' ' 76' ' ' ILE . 27.6 mt -57.31 -52.86 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.66 HD11 HD22 ' B' ' 75' ' ' LEU . 42.3 mm -56.22 -45.45 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.72 -49.6 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -54.94 -47.1 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.68 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.68 -54.12 38.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.696 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.3 t -62.63 -34.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -47.15 75.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.16 79.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -60.97 -51.37 59.01 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.571 HG13 ' OG1' ' B' ' 87' ' ' THR . 47.4 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.164 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.883 0.373 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -47.98 -50.3 27.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.66 HD22 HD11 ' A' ' 76' ' ' ILE . 63.6 mt -56.0 -50.0 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 75' ' ' LEU . 48.2 mm -56.18 -45.15 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.52 -49.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.44 -46.93 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.696 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.06 -54.06 39.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.0 t -62.53 -34.43 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmt -65.93 -46.71 77.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.02 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.574 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.47 -51.54 57.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 80' ' ' VAL . 49.1 t -53.92 -56.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' B' ' 88' ' ' ILE . 57.7 mt -55.71 -42.06 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -52.12 54.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.85 HG22 HD11 ' B' ' 91' ' ' ILE . 2.1 m -56.93 -44.15 82.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.2 mt -54.99 -51.2 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -56.57 -53.41 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.0 mt -57.46 -50.16 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.85 HD11 HG22 ' B' ' 87' ' ' THR . 41.8 mt -54.65 -48.05 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.12 -29.18 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.36 -37.83 68.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.76 93.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.2 mt -65.5 -32.09 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.907 0.384 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.6 m -48.66 -39.56 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 25.6 mt -57.4 -53.46 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.675 HD11 HD22 ' B' ' 75' ' ' LEU . 43.9 mm -56.07 -44.63 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.76 -49.46 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.22 -47.94 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.685 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.04 -54.17 37.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.695 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.4 t -62.64 -34.65 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.93 -47.12 75.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.62 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.572 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.77 -51.32 58.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 80' ' ' VAL . 47.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 59.1 m -49.3 -46.79 47.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.675 HD22 HD11 ' A' ' 76' ' ' ILE . 84.4 mt -56.21 -49.44 74.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 35.8 mm -55.89 -46.59 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' B' ' 81' ' ' MET . 25.7 mt -63.13 -49.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.35 -46.93 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.695 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.15 -53.66 42.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.6 t -62.65 -34.51 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' MET . . . . . 0.53 ' SD ' HG22 ' B' ' 77' ' ' ILE . 88.0 mtp -65.75 -46.62 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.1 82.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.541 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.67 -51.81 53.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 80' ' ' VAL . 52.3 t -53.53 -57.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.658 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.7 mm -55.45 -41.43 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.22 54.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.84 HG22 HD11 ' B' ' 91' ' ' ILE . 2.3 m -57.08 -43.84 82.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.6 mt -55.05 -51.33 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.6 -53.32 58.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.5 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.84 HD11 HG22 ' B' ' 87' ' ' THR . 44.0 mt -54.63 -48.29 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -55.01 -27.35 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -37.32 69.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.4 98.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.534 HD12 ' O ' ' B' ' 91' ' ' ILE . 2.7 mp -65.6 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.878 0.37 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.8 m -50.01 -43.94 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.992 HD22 HD11 ' B' ' 76' ' ' ILE . 33.1 mt -56.22 -50.42 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.652 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -55.66 -46.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.508 HG22 ' SD ' ' A' ' 81' ' ' MET . 15.1 mt -63.02 -49.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.16 -48.09 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.673 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.0 -53.37 42.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.689 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.9 t -62.72 -35.19 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.127 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.508 ' SD ' HG22 ' A' ' 77' ' ' ILE . 7.5 mtt -65.9 -46.14 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.44 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.58 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.38 -52.22 52.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.582 HG13 ' OG1' ' B' ' 87' ' ' THR . 53.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 33.4 m -49.42 -49.23 45.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 76' ' ' ILE . 96.3 mt -56.28 -49.94 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 75' ' ' LEU . 33.0 mm -56.49 -44.51 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.55 -49.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.2 -48.82 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.689 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.63 -54.2 36.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.0 t -62.39 -34.41 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 46.8 mmm -65.61 -47.03 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.09 82.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.43 -52.09 51.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 80' ' ' VAL . 50.9 t -53.43 -58.21 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.671 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.8 mm -55.61 -40.91 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.07 -52.18 54.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.716 HG22 ' CD1' ' B' ' 91' ' ' ILE . 2.5 m -57.18 -43.4 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.68 0.276 . . . . 0.0 111.089 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.5 mt -55.63 -51.17 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.76 -53.25 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.76 -50.31 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.716 ' CD1' HG22 ' B' ' 87' ' ' THR . 72.2 mt -56.91 -48.96 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -55.27 -30.25 59.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -72.57 -36.94 68.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.48 93.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mm -65.27 -30.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.93 0.395 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -43.73 -43.48 6.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.874 HD22 HD11 ' B' ' 76' ' ' ILE . 16.5 mt -56.78 -54.15 49.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.658 HD11 HD22 ' B' ' 75' ' ' LEU . 42.5 mm -55.58 -43.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.65 -49.8 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -54.91 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.664 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.56 -54.86 33.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.675 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.4 t -62.06 -34.38 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmm -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.64 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.531 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.32 -51.8 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 80' ' ' VAL . 55.0 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.956 0.408 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -49.23 -47.21 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.658 HD22 HD11 ' A' ' 76' ' ' ILE . 89.3 mt -55.94 -49.45 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.874 HD11 HD22 ' A' ' 75' ' ' LEU . 42.3 mm -55.83 -46.77 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.07 -49.93 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.78 -47.34 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.675 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.4 -54.18 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.7 t -62.27 -35.03 67.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.98 -45.12 82.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.93 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.512 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.62 -52.55 50.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 80' ' ' VAL . 56.1 t -53.01 -58.71 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.56 -41.27 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.87 -51.63 58.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -57.25 -44.9 84.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.16 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.3 mt -54.39 -51.02 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.51 -53.39 58.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 66.7 mt -57.45 -51.6 68.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.5 mm -54.96 -47.97 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -55.42 -32.6 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -71.94 -36.36 69.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.53 -37.36 93.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.46 -31.3 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.91 0.386 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.8 m -50.0 -44.18 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.996 HD22 HD11 ' B' ' 76' ' ' ILE . 32.7 mt -56.09 -50.06 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.666 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -55.97 -46.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.35 -50.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -54.63 -48.53 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.704 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.84 -55.0 31.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.704 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.0 t -61.45 -34.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.347 . . . . 0.0 111.2 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 mmt -65.43 -46.3 80.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.84 78.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.587 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.98 -51.86 54.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 80' ' ' VAL . 51.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.0 mm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -49.42 -47.08 48.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 76' ' ' ILE . 96.7 mt -56.35 -49.0 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.996 HD11 HD22 ' A' ' 75' ' ' LEU . 34.3 mm -56.19 -45.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.28 -50.2 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -54.36 -48.35 71.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.704 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.12 -55.17 30.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.2 t -61.43 -33.86 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 111.096 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.51 -46.44 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.31 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.556 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.46 -52.12 51.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 80' ' ' VAL . 52.8 t -53.51 -57.07 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.667 ' HA ' HD12 ' B' ' 88' ' ' ILE . 59.4 mt -55.69 -41.93 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.14 -52.1 54.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.497 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.849 HG22 HD11 ' B' ' 91' ' ' ILE . 2.1 m -56.93 -44.15 82.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' B' ' 85' ' ' ILE . 38.3 mt -54.94 -51.24 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.63 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.4 -49.98 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.849 HD11 HG22 ' B' ' 87' ' ' THR . 41.1 mt -54.74 -47.96 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -55.29 -29.45 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -72.44 -37.06 68.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.78 94.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.43 -31.16 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.904 0.383 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 m -49.98 -43.84 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 33.8 mt -56.26 -50.28 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.639 HD11 HD22 ' B' ' 75' ' ' LEU . 50.7 mm -55.95 -45.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -63.61 -50.13 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -54.57 -48.54 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.667 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.79 -54.58 34.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.695 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.4 t -61.69 -34.75 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.17 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.8 mmm -65.71 -47.13 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.56 81.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.577 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.92 -51.93 53.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.598 HG13 ' OG1' ' B' ' 87' ' ' THR . 49.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.876 0.37 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 64.4 m -49.57 -48.74 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.639 HD22 HD11 ' A' ' 76' ' ' ILE . 96.3 mt -56.19 -49.08 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 33.9 mm -56.45 -45.36 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.27 -50.07 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -54.4 -48.89 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.695 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.73 -54.73 32.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 79' ' ' GLY . 45.8 t -61.73 -34.28 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.098 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 28.8 mmm -65.81 -47.01 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.43 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.611 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.13 -51.93 53.34 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 80' ' ' VAL . 50.6 t -53.65 -58.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.5 mm -55.63 -40.33 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.52 -52.33 53.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.712 HG22 ' CD1' ' B' ' 91' ' ' ILE . 2.8 m -57.06 -43.48 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 111.151 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.7 mt -55.44 -51.44 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.56 -53.35 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -57.45 -50.67 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.712 ' CD1' HG22 ' B' ' 87' ' ' THR . 73.8 mt -56.63 -49.29 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.15 -28.7 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.13 -37.06 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.38 94.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.7 mt -65.55 -31.49 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.922 0.391 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.7 m -48.68 -47.6 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -57.9 -55.16 38.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.678 HD11 HD22 ' B' ' 75' ' ' LEU . 39.5 mm -56.56 -42.87 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mm -65.0 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.581 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.77 -55.3 30.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.601 HG22 ' O ' ' B' ' 79' ' ' GLY . 57.1 t -62.79 -34.77 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.1 mmt -67.32 -47.83 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.58 85.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.489 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.85 -51.55 54.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 80' ' ' VAL . 42.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.163 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 42.0 m -50.06 -49.05 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.678 HD22 HD11 ' A' ' 76' ' ' ILE . 97.1 mt -56.02 -48.75 75.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 80' ' ' VAL . 35.3 mm -55.92 -47.25 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mt -62.63 -49.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.37 -45.15 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.601 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -58.27 -51.35 59.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 79' ' ' GLY . 44.5 t -64.41 -35.56 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.4 mtp -66.41 -43.67 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.84 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.34 40.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 80' ' ' VAL . 65.4 t -53.88 -58.62 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 mm -54.91 -40.23 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.17 -51.92 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.859 HG22 HD11 ' B' ' 91' ' ' ILE . 2.7 m -57.45 -44.04 84.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 111.101 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mm -54.91 -51.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 mt -56.63 -53.26 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.4 -49.71 75.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.859 HD11 HG22 ' B' ' 87' ' ' THR . 41.7 mt -54.69 -47.82 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.5 t -55.29 -29.03 57.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.81 -37.38 67.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.69 93.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.44 -32.02 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.9 m -50.02 -48.16 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.858 HD22 HD11 ' B' ' 76' ' ' ILE . 14.4 mt -56.75 -49.05 76.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.588 HD11 HD22 ' B' ' 75' ' ' LEU . 51.8 mm -56.18 -45.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.67 -50.49 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.38 -47.89 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.724 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.36 -55.93 27.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.734 HG22 ' O ' ' B' ' 79' ' ' GLY . 49.0 t -60.64 -33.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 mmt -65.63 -44.78 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.93 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.58 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.66 -53.28 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.507 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 80' ' ' VAL . 58.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 84.2 m -49.71 -48.16 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.588 HD22 HD11 ' A' ' 76' ' ' ILE . 95.9 mt -56.21 -48.37 76.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 75' ' ' LEU . 38.9 mm -56.04 -46.3 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -64.46 -50.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -54.5 -48.03 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.734 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.18 -55.76 27.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.427 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.5 t -60.82 -34.17 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.75 -43.84 87.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.36 -46.49 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.563 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.54 -53.29 39.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 80' ' ' VAL . 66.8 t -53.97 -58.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.692 ' HA ' HD12 ' B' ' 88' ' ' ILE . 37.9 mm -55.44 -39.39 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.85 -52.6 51.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.452 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.842 HG22 HD11 ' B' ' 91' ' ' ILE . 3.2 m -57.35 -43.28 83.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 111.157 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' B' ' 85' ' ' ILE . 37.7 mt -55.28 -51.88 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.63 -53.14 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.21 -49.33 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.842 HD11 HG22 ' B' ' 87' ' ' THR . 42.6 mt -54.59 -49.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.8 p -55.33 -31.19 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -36.28 67.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.02 93.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mm -65.42 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.909 0.385 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.9 m -48.15 -39.89 22.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.941 HD22 HD11 ' B' ' 76' ' ' ILE . 28.4 mt -57.19 -53.48 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.634 HD11 HD22 ' B' ' 75' ' ' LEU . 41.9 mm -55.93 -44.78 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.57 -49.39 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.21 -46.92 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.686 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.85 -54.04 39.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.693 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.9 t -62.75 -34.7 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmm -65.97 -46.89 76.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.85 79.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.574 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.64 -51.29 58.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.533 HG13 ' OG1' ' B' ' 87' ' ' THR . 46.7 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.927 0.394 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 94.1 m -49.81 -52.53 31.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.634 HD22 HD11 ' A' ' 76' ' ' ILE . 73.3 mt -55.95 -49.78 72.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.941 HD11 HD22 ' A' ' 75' ' ' LEU . 34.3 mm -56.64 -44.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.61 -50.18 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -54.45 -46.55 73.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.693 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.52 -54.23 38.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.2 t -62.55 -34.12 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -47.13 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.36 81.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.546 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.13 -51.48 56.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 47.0 t -53.78 -57.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.651 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.52 -41.15 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.42 -52.23 53.99 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.533 ' OG1' HG13 ' A' ' 84' ' ' VAL . 3.2 m -57.12 -45.02 83.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 111.127 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.0 mt -53.98 -51.19 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.59 -53.17 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.39 -51.29 70.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 mm -55.27 -45.52 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 3.7 t -55.34 -34.82 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -70.18 -36.36 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.14 -37.29 93.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.5 -31.14 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.1 mtm-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.36 135.76 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.25 177.06 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 65.9 mt -153.42 158.59 41.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.16 100.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.74 100.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -179.36 163.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.69 150.37 26.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.1 m -158.18 -176.53 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 51.63 69.68 2.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.687 0.756 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -6.33 18.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.749 2.299 . . . . 0.0 112.361 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -80.28 24.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt -53.68 -57.6 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 m -50.01 -44.03 50.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 32.3 mt -56.14 -50.02 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.64 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -56.07 -46.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.1 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.67 -48.32 72.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.682 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.95 -54.62 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.708 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.9 t -61.69 -34.69 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.8 mmm -65.69 -46.5 78.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.97 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.571 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.69 -52.17 52.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.473 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.555 HG13 ' OG1' ' B' ' 87' ' ' THR . 52.2 t -53.46 -57.39 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.543 ' HA ' HD12 ' A' ' 88' ' ' ILE . 54.7 mt -55.57 -41.98 66.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.96 -51.73 56.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.619 HG21 HG13 ' B' ' 88' ' ' ILE . 3.1 m -57.15 -45.63 83.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.737 0.303 . . . . 0.0 111.12 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.579 HG13 HG21 ' B' ' 87' ' ' THR . 52.6 mt -53.72 -51.07 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.34 -53.46 57.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 67.7 mt -57.4 -51.61 68.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.516 HG21 HG21 ' B' ' 91' ' ' ILE . 27.2 mm -55.15 -48.91 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.6 t -55.11 -29.1 56.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -73.08 -36.93 66.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.82 -37.34 94.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.47 -32.34 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 97' ' ' ARG . 1.1 ttt180 -74.94 -40.94 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.1 tpp85 76.95 -44.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.4 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 p -167.79 131.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 62.69 149.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' B' ' 65' ' ' ALA . 10.1 mt 55.11 -175.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 64' ' ' LEU . . . 72.1 33.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 21.9 t60 46.66 84.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -51.32 119.48 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.42 170.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.7 t -164.37 -167.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -149.01 71.08 10.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.28 6.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.383 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -168.52 -64.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.2 mt -49.8 -52.25 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -49.43 -48.51 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.64 HD22 HD11 ' A' ' 76' ' ' ILE . 96.4 mt -56.19 -49.24 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 33.7 mm -56.37 -45.26 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.33 -50.16 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.47 -48.47 71.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.708 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.01 -54.79 32.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.4 t -61.67 -34.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 39.8 mmm -65.69 -46.95 77.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.28 82.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.596 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.34 -52.17 51.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 80' ' ' VAL . 52.0 t -53.3 -58.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.549 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.61 -41.04 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.6 -51.99 55.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.579 HG21 HG13 ' A' ' 88' ' ' ILE . 3.1 m -57.13 -45.58 83.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.619 HG13 HG21 ' A' ' 87' ' ' THR . 53.4 mt -53.67 -51.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.38 -53.2 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.29 -52.11 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.516 HG21 HG21 ' A' ' 91' ' ' ILE . 1.4 mp -55.62 -48.54 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.19 -28.72 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -72.93 -36.66 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.92 -38.16 95.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.5 mm -65.5 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -74.91 -33.05 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 62.87 27.65 16.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.2 m -151.79 156.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -78.03 176.5 9.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.51 -177.13 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.96 38.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.79 175.11 14.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -176.07 82.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.12 175.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.0 150.87 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -135.9 72.66 61.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.758 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.12 17.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' OE1' HD12 ' A' ' 75' ' ' LEU . 27.9 mm-40 -80.32 24.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.44 -57.68 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -49.91 -43.6 49.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.011 HD22 HD11 ' B' ' 76' ' ' ILE . 34.8 mt -56.32 -50.37 71.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.695 HD11 HD22 ' B' ' 75' ' ' LEU . 50.4 mm -56.07 -45.69 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.56 -49.89 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.71 -48.8 72.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.691 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.69 -54.77 32.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.706 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.4 t -61.69 -34.08 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.54 -47.03 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.08 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.554 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.62 -51.68 54.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 80' ' ' VAL . 48.1 t -53.68 -57.92 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.329 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.665 ' HA ' HD12 ' A' ' 88' ' ' ILE . 40.1 mm -55.71 -40.92 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.67 -52.32 53.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.699 HG21 HG13 ' B' ' 88' ' ' ILE . 3.2 m -57.15 -44.44 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.149 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.672 HG13 HG21 ' B' ' 87' ' ' THR . 39.1 mt -54.42 -51.49 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 mt -56.48 -53.06 61.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.9 mt -57.39 -51.26 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.833 HG21 HG21 ' B' ' 91' ' ' ILE . 24.5 mm -54.89 -49.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -55.11 -29.52 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -73.03 -36.85 67.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.02 93.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 52.4 mt -65.56 -32.09 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.457 ' HD3' HD22 ' A' ' 98' ' ' LEU . 19.3 mtt-85 -75.0 -38.47 61.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 58.62 26.3 14.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.457 HD22 ' HD3' ' A' ' 96' ' ' ARG . 5.0 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.02 148.47 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -79.5 175.42 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 65.5 mt -153.38 130.39 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.68 32.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 46.5 84.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -175.83 71.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.47 168.07 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -168.91 -167.36 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -156.97 68.19 4.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -11.38 30.7 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.622 2.215 . . . . 0.0 112.366 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -51.71 -60.38 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.47 -54.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 62.7 m -48.46 -48.3 37.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 76' ' ' ILE . 97.3 mt -55.79 -48.28 75.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 1.011 HD11 HD22 ' A' ' 75' ' ' LEU . 34.2 mm -56.34 -46.67 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.552 HG22 ' SD ' ' B' ' 81' ' ' MET . 19.9 mt -63.83 -50.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -54.27 -47.75 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.706 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.69 -54.18 38.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.2 t -61.92 -34.27 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.552 ' SD ' HG22 ' B' ' 77' ' ' ILE . 75.4 mtp -65.42 -46.66 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.9 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.562 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.93 -52.08 50.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 80' ' ' VAL . 53.7 t -53.28 -58.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.645 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.47 -41.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.49 -52.04 55.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.672 HG21 HG13 ' A' ' 88' ' ' ILE . 3.0 m -57.17 -44.79 83.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.137 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.699 HG13 HG21 ' A' ' 87' ' ' THR . 40.4 mt -54.22 -51.44 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.45 -53.1 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.48 -51.4 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.833 HG21 HG21 ' A' ' 91' ' ' ILE . 25.4 mm -54.92 -48.84 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.2 m -55.24 -29.12 57.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -72.95 -37.28 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -36.99 93.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.48 -31.78 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -42.71 56.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 52.48 29.39 6.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 98' ' ' LEU . 10.2 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.31 123.83 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.43 157.59 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 8.0 mt 53.48 -170.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.29 31.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -170.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -174.52 35.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -62.13 171.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.25 134.72 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.84 67.65 80.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -6.55 18.87 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.32 24.81 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.03 -57.64 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.7 m -50.01 -44.31 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.015 HD22 HD11 ' B' ' 76' ' ' ILE . 32.6 mt -56.08 -49.86 72.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.716 HD11 HD22 ' B' ' 75' ' ' LEU . 50.2 mm -56.05 -46.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.3 mt -63.26 -50.01 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.709 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.78 -54.63 33.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.721 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.7 t -61.77 -34.46 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.1 mmt -65.68 -46.63 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.79 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.593 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.83 -52.04 53.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 80' ' ' VAL . 51.3 t -53.52 -57.3 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' A' ' 88' ' ' ILE . 59.8 mt -55.71 -41.68 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.44 -52.09 54.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.437 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.843 HG22 HD11 ' A' ' 91' ' ' ILE . 2.1 m -56.91 -44.21 82.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.302 . . . . 0.0 111.13 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 85' ' ' ILE . 38.1 mt -54.98 -51.16 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 mt -56.61 -53.45 57.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.46 -50.17 73.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.843 HD11 HG22 ' A' ' 87' ' ' THR . 43.2 mt -54.74 -46.36 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 t -55.32 -34.69 64.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -70.81 -36.53 73.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.37 -36.48 92.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.48 -31.41 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -43.21 56.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 61.62 76.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.4 t 52.38 89.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -81.35 175.3 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 65.7 mt -153.37 133.34 13.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.06 92.29 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 26.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -179.93 160.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.48 167.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.21 132.29 41.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -173.78 65.65 0.31 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.1 -49.75 18.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.6 mm -48.75 -54.13 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 54.4 m -48.76 -47.75 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 76' ' ' ILE . 97.2 mt -56.02 -48.98 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 1.015 HD11 HD22 ' A' ' 75' ' ' LEU . 33.7 mm -56.48 -45.76 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.98 -49.96 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -54.47 -48.69 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.721 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.96 -54.94 31.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.507 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.3 t -61.47 -34.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 9.9 mmt -65.61 -47.2 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.11 83.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.592 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.54 -52.2 50.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 80' ' ' VAL . 50.6 t -53.06 -57.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.549 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.8 mm -55.66 -42.2 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -51.24 59.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.63 HG21 HG13 ' A' ' 88' ' ' ILE . 2.0 m -57.32 -47.28 81.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.674 HG13 HG21 ' A' ' 87' ' ' THR . 45.7 mt -52.44 -50.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.34 -53.02 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 87' ' ' THR . 7.3 mt -57.3 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.726 HG21 HG21 ' A' ' 91' ' ' ILE . 1.6 mp -55.94 -48.92 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.4 p -55.34 -31.43 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.21 -36.44 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.25 93.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.5 -31.64 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -74.99 -42.66 57.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 53.08 28.64 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 36.9 t -122.98 88.57 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 62.67 149.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -164.55 177.92 7.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 71.91 59.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -155.1 30.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -175.59 114.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.34 166.91 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.9 t -168.02 -169.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.475 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . 0.8 OUTLIER -76.31 -61.79 0.77 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.624 0.726 . . . . 0.0 110.874 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 53.7 Cg_endo -69.77 99.55 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -164.8 -49.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.7 mt -52.58 -49.74 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -50.09 -50.93 46.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.7 HD22 HD11 ' B' ' 76' ' ' ILE . 89.4 mt -55.59 -50.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.518 HG12 HD23 ' B' ' 75' ' ' LEU . 29.3 mm -56.51 -45.38 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -63.48 -49.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -54.25 -47.78 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.596 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.74 -53.6 42.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.537 HG22 ' O ' ' B' ' 79' ' ' GLY . 45.2 t -62.61 -34.11 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.05 -47.43 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.58 84.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.484 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -63.03 -52.08 50.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 80' ' ' VAL . 46.5 t -53.44 -57.82 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.646 ' HA ' HD12 ' A' ' 88' ' ' ILE . 40.9 mm -55.52 -41.45 63.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.39 -53.44 46.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.673 HG21 HG13 ' B' ' 88' ' ' ILE . 3.0 m -55.04 -43.25 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.731 0.3 . . . . 0.0 111.158 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 85' ' ' ILE . 33.7 mt -56.94 -47.92 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.9 mt -58.02 -55.57 33.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.91 -50.8 72.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.738 HG21 HG21 ' B' ' 91' ' ' ILE . 23.5 mm -56.26 -49.72 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.6 p -55.18 -30.01 59.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -73.01 -37.19 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.21 92.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.43 -30.99 51.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -43.47 53.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 53.63 27.85 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t 63.64 106.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -81.86 175.38 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.4 mt -153.45 112.42 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.96 93.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.34 95.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.53 35.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.38 170.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -56.78 174.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -123.53 74.85 53.67 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.659 0.742 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 123.91 10.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.388 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -174.53 -60.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 mp -48.0 -51.3 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 92.0 m -49.35 -49.59 43.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 76' ' ' ILE . 6.4 mp -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.7 HD11 HD22 ' A' ' 75' ' ' LEU . 38.8 mm -56.02 -45.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -65.12 -50.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -54.78 -49.33 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.537 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -54.91 -54.78 31.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.4 t -61.4 -35.44 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 14.5 mmt -66.1 -48.45 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.23 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.522 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -60.7 -50.89 62.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 80' ' ' VAL . 39.5 t -54.56 -58.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.663 ' HA ' HD12 ' B' ' 88' ' ' ILE . 63.4 mt -55.67 -40.13 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.57 52.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.64 HG21 HG13 ' A' ' 88' ' ' ILE . 3.2 m -57.07 -44.4 83.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.673 HG13 HG21 ' A' ' 87' ' ' THR . 38.6 mt -54.31 -51.77 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.3 mt -56.46 -53.14 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.28 -50.57 72.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.738 HG21 HG21 ' A' ' 91' ' ' ILE . 22.6 mm -54.79 -47.9 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.9 t -55.25 -30.42 60.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.85 -38.15 67.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.98 -34.7 90.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.06 -30.87 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -45.48 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.88 23.77 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' VAL . 32.4 ttp180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.516 ' O ' HG22 ' A' ' 62' ' ' VAL . 2.4 p 35.67 82.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.39 174.86 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.502 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 4.2 pp -158.87 -174.97 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.07 99.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 28.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.61 157.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.34 168.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.62 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 51.54 68.25 3.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.643 0.735 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -34.84 13.72 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.726 ' CG ' HD12 ' A' ' 75' ' ' LEU . 1.1 mp0 -164.11 25.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.8 -58.72 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -49.18 -43.3 42.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.784 HD22 HD11 ' B' ' 76' ' ' ILE . 37.8 mt -56.53 -50.27 72.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.627 HD11 HD22 ' B' ' 75' ' ' LEU . 48.7 mm -56.04 -46.93 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.21 -49.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -54.84 -46.94 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.708 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.7 -54.74 34.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.725 HG22 ' O ' ' B' ' 79' ' ' GLY . 49.2 t -61.97 -35.04 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.9 mmt -66.0 -44.39 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.65 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.572 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.34 -52.62 50.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.9 t -53.66 -57.87 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.612 ' HA ' HD12 ' A' ' 88' ' ' ILE . 56.9 mt -55.62 -41.24 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.74 -51.72 57.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.6 m -57.2 -45.41 83.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.169 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 85' ' ' ILE . 41.0 mt -54.06 -50.9 51.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.55 -53.43 57.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.6 mt -57.39 -51.51 69.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 mm -54.77 -48.47 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -55.31 -30.49 60.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -72.61 -37.3 68.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.6 -36.2 92.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.44 -32.08 56.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -30.74 61.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 59.31 26.74 15.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.96 -176.25 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 62.58 149.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 50.0 mt 55.31 -176.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.6 77.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -64.57 -171.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.49 -63.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.0 143.78 36.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t 47.76 -164.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.492 ' CB ' ' CD ' ' B' ' 71' ' ' PRO . 0.2 OUTLIER -171.95 -62.29 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 110.882 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' B' ' 70' ' ' GLU . 54.4 Cg_endo -69.74 76.91 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -178.77 -60.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm -49.58 -51.74 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 78.9 m -49.43 -49.06 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.627 HD22 HD11 ' A' ' 76' ' ' ILE . 96.0 mt -56.06 -49.96 72.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.784 HD11 HD22 ' A' ' 75' ' ' LEU . 43.9 mm -56.23 -45.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mm -63.81 -50.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -54.5 -47.42 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.725 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.72 -55.11 31.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.0 t -61.68 -34.07 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.76 -45.5 82.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.55 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.569 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.88 -52.08 52.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 54.7 t -54.47 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.5 mt -55.72 -43.29 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.86 -51.5 56.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.841 HG22 HD11 ' B' ' 91' ' ' ILE . 1.9 m -57.08 -44.09 82.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.114 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 32.3 mm -55.19 -51.17 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.61 -53.54 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.9 mt -57.5 -50.08 74.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.841 HD11 HG22 ' B' ' 87' ' ' THR . 43.5 mt -54.7 -47.63 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.19 -29.62 58.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -72.58 -37.04 68.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.51 94.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.56 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -75.0 -41.95 58.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 52.9 29.24 7.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 m -147.72 136.13 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.96 176.89 8.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.17 92.86 1.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.79 75.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 94.72 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -52.53 171.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.56 167.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 47.92 -165.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 73' ' ' ILE . 1.6 pm0 -162.42 67.56 1.96 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -22.94 31.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' CG ' HD12 ' A' ' 75' ' ' LEU . 4.3 mp0 -80.96 23.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -48.93 -54.97 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.0 m -53.17 -44.82 68.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.006 HD22 HD11 ' B' ' 76' ' ' ILE . 32.3 mt -56.51 -48.91 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.585 HD11 HD22 ' B' ' 75' ' ' LEU . 49.6 mm -56.34 -46.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.7 -50.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -54.43 -48.59 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.719 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.07 -55.34 29.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.71 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.1 t -61.0 -33.59 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.423 ' O ' HD13 ' A' ' 85' ' ' ILE . 4.4 mmt -65.16 -47.7 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.38 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.566 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.47 -51.64 52.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 80' ' ' VAL . 49.9 t -53.86 -60.23 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.669 ' HA ' HD12 ' A' ' 88' ' ' ILE . 1.6 mp -55.64 -38.13 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.28 -52.57 50.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.829 HG22 HD11 ' A' ' 91' ' ' ILE . 3.0 m -57.39 -43.04 83.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.707 0.289 . . . . 0.0 111.127 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.7 HG13 HG21 ' B' ' 87' ' ' THR . 38.1 mt -55.59 -51.71 55.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.7 -53.04 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.48 -49.59 75.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.829 HD11 HG22 ' A' ' 87' ' ' THR . 45.7 mt -54.58 -47.54 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -55.3 -29.75 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -72.42 -37.13 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.53 -37.48 94.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.3 mt -65.47 -31.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -40.76 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 55.94 25.98 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 m -134.48 124.07 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.85 157.99 34.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' B' ' 65' ' ' ALA . 1.4 pt? -163.99 177.55 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 64' ' ' LEU . . . 72.02 101.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -155.13 120.85 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.52 115.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.65 168.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -74.57 -170.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.492 ' CB ' ' CD ' ' B' ' 71' ' ' PRO . 2.7 mt-10 -170.69 -62.44 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' B' ' 70' ' ' GLU . 54.2 Cg_endo -69.73 82.26 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.05 -40.09 60.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mt -49.54 -54.18 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 53.7 m -49.2 -46.73 46.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 76' ' ' ILE . 76.3 mt -56.4 -48.43 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 1.006 HD11 HD22 ' A' ' 75' ' ' LEU . 33.5 mm -56.2 -46.55 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.555 HG22 ' SD ' ' B' ' 81' ' ' MET . 16.4 mt -64.09 -50.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -54.3 -47.59 72.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.71 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.76 -54.48 36.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.8 t -61.67 -34.26 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.356 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.555 ' SD ' HG22 ' B' ' 77' ' ' ILE . 10.7 mtp -65.26 -46.4 80.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.03 82.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.558 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.06 -52.21 49.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.4 t -53.27 -57.99 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.64 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.56 -41.26 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.41 -52.01 55.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.7 HG21 HG13 ' A' ' 88' ' ' ILE . 2.9 m -57.16 -45.19 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.153 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.4 mt -53.87 -51.39 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.42 -53.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.43 -51.38 69.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.71 HG21 HG21 ' A' ' 91' ' ' ILE . 26.0 mm -55.25 -49.5 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m -55.16 -29.04 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -72.96 -36.58 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.15 -37.82 94.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.53 -32.12 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -39.34 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 57.4 27.76 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.7 t -106.56 76.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 62.61 148.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -163.28 41.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.2 88.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.75 32.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -175.93 106.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -58.93 139.05 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.89 174.79 8.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.553 ' H ' ' HD2' ' A' ' 71' ' ' PRO . 2.1 mt-10 -91.53 -62.93 0.19 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.553 ' HD2' ' H ' ' A' ' 70' ' ' GLU . 53.6 Cg_endo -69.76 2.32 3.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.55 ' OE1' HD13 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -78.8 20.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.6 mt -61.02 -60.38 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.7 m -48.94 -41.2 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 HD11 ' B' ' 76' ' ' ILE . 96.0 mt -57.38 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.54 HD11 HD22 ' B' ' 75' ' ' LEU . 44.6 mm -55.99 -44.54 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -62.86 -49.64 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.77 -47.56 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.67 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.61 -54.73 34.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.674 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.6 t -62.14 -34.01 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmm -65.84 -47.4 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.548 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.24 -51.33 57.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 80' ' ' VAL . 46.8 t -53.93 -57.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.674 ' HA ' HD12 ' A' ' 88' ' ' ILE . 39.8 mm -55.56 -41.39 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.2 53.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.523 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.706 HG21 HG13 ' B' ' 88' ' ' ILE . 3.3 m -57.21 -44.93 84.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 111.124 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.704 HG13 HG21 ' B' ' 87' ' ' THR . 37.6 mt -53.88 -51.49 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.44 -53.14 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.37 -51.27 70.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.903 HG21 HG21 ' B' ' 91' ' ' ILE . 25.3 mm -54.86 -48.15 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.5 t -55.26 -29.8 58.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -72.67 -37.58 67.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.13 92.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.44 -31.85 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -42.95 57.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 54.15 27.32 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.3 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.03 127.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -74.92 155.27 37.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -163.46 169.07 19.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.17 33.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 138.78 44.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.62 36.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.92 -63.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -155.18 -176.83 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -137.31 73.54 50.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -172.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -165.13 -60.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.5 mt -49.98 -53.37 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 88.0 m -49.06 -47.76 44.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.55 HD13 ' OE1' ' A' ' 72' ' ' GLU . 95.6 mt -56.22 -50.14 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.412 ' O ' HG23 ' B' ' 80' ' ' VAL . 45.7 mm -56.03 -45.14 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.84 -50.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.46 -47.66 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.674 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.56 -54.49 35.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.7 t -62.21 -34.02 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.73 -46.75 77.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.48 80.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.532 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.05 -51.58 55.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 49.9 t -54.02 -57.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.318 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.684 ' HA ' HD12 ' B' ' 88' ' ' ILE . 56.2 mt -55.54 -41.71 65.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.24 -52.16 54.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.842 HG22 HD11 ' B' ' 91' ' ' ILE . 2.4 m -57.06 -44.07 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.108 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.706 HG13 HG21 ' A' ' 87' ' ' THR . 36.2 mt -54.84 -51.37 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.61 -53.51 56.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.34 -49.83 74.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.903 HG21 HG21 ' A' ' 91' ' ' ILE . 42.9 mt -54.69 -48.97 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.8 t -55.21 -28.67 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -73.15 -36.95 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.47 94.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.57 -31.68 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -74.14 -26.89 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 63.16 27.39 15.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.84 150.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 62.58 148.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -165.08 152.09 10.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.2 29.31 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.31 163.42 27.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -51.2 103.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -54.4 133.73 45.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -168.34 -176.66 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 73' ' ' ILE . 25.0 mt-10 -157.37 66.81 3.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.675 0.75 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -31.32 20.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.738 2.292 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.94 23.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -45.34 -52.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.1 m -55.5 -45.82 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.92 HD22 HD11 ' B' ' 76' ' ' ILE . 31.1 mt -56.45 -47.62 78.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 80' ' ' VAL . 43.3 mm -56.63 -46.84 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.1 mt -63.62 -49.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.58 -48.36 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.706 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.98 -54.78 32.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.712 HG22 ' O ' ' B' ' 79' ' ' GLY . 45.8 t -61.62 -34.47 62.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.4 mmm -65.57 -46.43 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.41 81.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.609 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -62.63 -52.3 49.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.537 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.53 HG13 ' OG1' ' B' ' 87' ' ' THR . 54.6 t -53.18 -58.45 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.652 ' HA ' HD12 ' A' ' 88' ' ' ILE . 40.4 mm -55.42 -41.13 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.98 -53.15 48.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.714 HG22 ' CD1' ' A' ' 91' ' ' ILE . 1.7 m -55.28 -42.45 73.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 111.148 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 85' ' ' ILE . 34.4 mt -57.54 -48.63 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.78 -55.18 38.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mp -57.98 -50.14 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.714 ' CD1' HG22 ' A' ' 87' ' ' THR . 81.2 mt -56.73 -47.97 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.9 t -55.13 -29.78 58.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -72.44 -36.95 68.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.65 -37.92 95.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.48 -31.86 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -73.99 -27.2 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.95 25.47 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 5.8 m -143.2 72.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.96 176.47 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.73 42.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.423 ' HB2' HD23 ' A' ' 64' ' ' LEU . . . -156.98 90.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.069 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.81 96.46 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.57 104.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -53.91 52.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.5 t 71.54 -166.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -155.37 68.08 5.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 143.38 50.85 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -173.74 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 mm -49.66 -53.15 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.7 m -49.29 -47.76 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.415 HD22 HD11 ' A' ' 76' ' ' ILE . 40.8 mt -56.27 -49.08 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.92 HD11 HD22 ' A' ' 75' ' ' LEU . 32.1 mm -56.29 -45.64 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.15 -50.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -54.44 -48.83 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.71 -54.89 31.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.2 t -61.73 -34.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.3 mmt -65.74 -46.39 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.5 81.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.618 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.38 -52.3 50.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.2 t -53.37 -58.34 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.59 -40.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.3 -52.36 53.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.748 HG22 HD11 ' B' ' 91' ' ' ILE . 2.7 m -56.99 -43.37 81.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 85' ' ' ILE . 33.9 mt -55.54 -51.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 48.4 mt -56.54 -53.15 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.53 -50.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.748 HD11 HG22 ' B' ' 87' ' ' THR . 62.1 mt -54.95 -48.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t -55.29 -28.38 53.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -73.11 -37.09 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.49 94.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.39 -31.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -42.53 57.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 53.77 28.0 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.832 0.349 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 m -76.75 -177.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -74.55 156.83 36.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 65.2 mt -153.43 -175.44 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.14 101.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -64.69 -178.24 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.41 148.92 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.78 168.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 47.84 -164.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HB3' HD12 ' A' ' 73' ' ' ILE . 21.1 mt-10 51.26 69.37 2.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -38.85 7.26 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.42 -53.78 51.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 70' ' ' GLU . 65.7 mt -49.54 -52.58 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.5 m -49.79 -47.84 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.647 HD22 HD11 ' B' ' 76' ' ' ILE . 62.6 mt -56.23 -48.43 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.648 HD11 HD22 ' B' ' 75' ' ' LEU . 43.9 mm -55.77 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.12 -50.66 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.34 -48.91 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.751 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.73 -56.07 25.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.752 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.7 t -60.37 -33.75 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.078 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmt -65.17 -45.02 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.36 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.606 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -62.91 -52.45 48.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.7 t -54.04 -57.25 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' A' ' 88' ' ' ILE . 55.3 mt -55.52 -41.43 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.33 -51.98 55.38 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -57.08 -45.15 83.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.175 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 85' ' ' ILE . 54.9 mt -54.12 -51.1 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -56.5 -53.31 58.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.1 mt -57.31 -51.29 69.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.95 -47.17 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.6 t -55.22 -29.83 58.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.01 -36.97 69.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.6 -37.97 95.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.59 -31.66 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -68.97 -27.79 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 7.0 ttt180 76.97 -44.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.6 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 t -145.29 73.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -83.32 150.05 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -161.86 150.19 15.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.32 -79.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 46.28 84.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -176.39 -52.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.46 168.29 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.9 t 71.67 -165.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -130.35 69.37 82.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -37.35 9.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.01 -56.24 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 51.4 mm -49.37 -52.24 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m -49.82 -48.2 50.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.648 HD22 HD11 ' A' ' 76' ' ' ILE . 63.4 mt -56.19 -48.42 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.647 HD11 HD22 ' A' ' 75' ' ' LEU . 44.1 mm -55.84 -46.07 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.12 -50.64 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -54.47 -48.92 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.752 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.66 -56.12 25.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.0 t -60.24 -33.76 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 111.089 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.0 mmt -65.28 -45.24 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.99 78.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.573 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.07 -52.73 45.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 54.6 t -53.36 -58.24 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 111.189 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' B' ' 88' ' ' ILE . 38.2 mm -55.42 -40.64 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.89 -52.18 54.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.519 HG22 HD13 ' B' ' 91' ' ' ILE . 3.0 m -57.22 -44.82 84.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' B' ' 85' ' ' ILE . 55.3 mt -54.13 -51.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.6 -52.86 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.4 -51.76 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.519 HD13 HG22 ' B' ' 87' ' ' THR . 1.4 mp -54.81 -47.88 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.24 -28.44 53.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.72 -37.08 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.15 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.21 -31.32 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -43.91 49.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.54 27.96 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -84.77 65.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.93 155.23 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.28 38.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.87 57.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.81 94.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -54.42 175.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -169.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.77 -42.9 62.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 50.82 75.03 0.7 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.663 0.744 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.05 20.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.713 2.276 . . . . 0.0 112.351 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' CG ' HD12 ' A' ' 75' ' ' LEU . 1.8 mp0 -80.61 24.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.23 -56.67 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -51.13 -45.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.965 HD22 HD11 ' B' ' 76' ' ' ILE . 33.4 mt -56.13 -49.39 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 HD22 ' B' ' 75' ' ' LEU . 51.6 mm -56.11 -46.49 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -63.71 -50.02 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.44 -47.95 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.744 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.36 -56.22 25.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.754 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.9 t -60.56 -33.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.3 mmt -65.69 -44.06 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.19 77.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.546 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.92 -53.29 38.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 80' ' ' VAL . 64.2 t -53.97 -58.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.6 mm -54.98 -40.17 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.25 -51.95 56.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.841 HG22 HD11 ' A' ' 91' ' ' ILE . 2.7 m -57.36 -44.55 84.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.814 0.34 . . . . 0.0 111.152 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mm -54.49 -51.35 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.7 mt -56.58 -53.4 58.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.38 -49.65 75.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.841 HD11 HG22 ' A' ' 87' ' ' THR . 42.2 mt -54.62 -47.95 71.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 p -55.32 -28.56 54.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -72.76 -37.23 67.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.962 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.88 95.05 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.43 -31.74 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -74.59 -27.38 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 60.1 28.82 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 62' ' ' VAL . 4.6 m -53.97 101.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.99 162.44 19.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.2 mt 55.26 -176.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.9 -80.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.81 41.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -176.18 93.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.58 169.32 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -167.28 -167.76 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.53 72.99 1.59 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.656 0.741 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 179.2 3.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -165.79 -57.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 56.4 mt -49.62 -52.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 87.1 m -49.96 -47.8 52.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.646 HD22 HD11 ' A' ' 76' ' ' ILE . 93.6 mt -56.25 -48.73 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.965 HD11 HD22 ' A' ' 75' ' ' LEU . 37.2 mm -55.94 -46.45 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.29 -50.0 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -54.67 -47.39 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.754 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.87 -55.95 27.44 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 79' ' ' GLY . 58.7 t -60.67 -33.89 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.071 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.469 ' O ' HD13 ' B' ' 85' ' ' ILE . 14.8 mmt -65.64 -44.92 84.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.09 83.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.551 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -64.41 -53.25 36.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 80' ' ' VAL . 64.3 t -53.46 -59.7 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 111.18 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.469 HD13 ' O ' ' B' ' 81' ' ' MET . 1.5 mp -55.21 -39.24 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.67 -52.04 55.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.493 HG22 HD13 ' B' ' 91' ' ' ILE . 4.2 m -57.7 -44.29 85.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 35.6 mm -54.36 -51.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.43 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.5 -51.69 68.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.493 HD13 HG22 ' B' ' 87' ' ' THR . 1.4 mp -55.92 -48.14 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -72.55 -36.78 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.81 -38.12 95.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.38 -33.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -74.8 -29.69 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 62.8 28.08 16.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER 63.78 157.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 62.7 148.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 1.1 pp -158.03 41.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.15 101.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.68 111.69 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.51 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.51 172.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.7 t -61.77 -167.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 4.0 pt-20 -54.08 158.35 3.69 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.684 0.754 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 70' ' ' GLU . 53.4 Cg_endo -69.79 153.89 68.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -176.26 -57.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -50.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.6 m -50.28 -50.51 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 HD11 ' B' ' 76' ' ' ILE . 62.2 mt -55.78 -47.7 76.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.56 HD11 HD22 ' B' ' 75' ' ' LEU . 41.1 mm -56.49 -45.84 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.9 mt -64.85 -50.49 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.47 -49.37 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.725 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.18 -55.47 28.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.724 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.2 t -60.8 -34.84 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.5 mmt -65.94 -44.02 86.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.78 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.601 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.04 -53.5 39.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 80' ' ' VAL . 70.1 t -54.03 -59.54 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.606 ' HA ' HD12 ' A' ' 88' ' ' ILE . 39.5 mm -55.54 -38.01 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.42 -52.16 53.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.624 HG22 ' CD1' ' A' ' 91' ' ' ILE . 9.7 m -57.4 -43.82 84.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.317 . . . . 0.0 111.167 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 85' ' ' ILE . 42.5 mt -55.45 -52.28 48.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -56.42 -52.58 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.29 -50.92 71.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.624 ' CD1' HG22 ' A' ' 87' ' ' THR . 87.5 mt -55.65 -47.51 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.9 m -55.25 -31.19 61.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -37.49 69.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.46 -35.64 92.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.56 -31.44 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 111.103 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -42.1 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 52.75 29.35 7.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 20.1 ptt85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.918 0.39 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -118.78 87.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.99 175.1 9.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 26.8 mt 54.88 80.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.42 88.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t60 46.6 84.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.59 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -48.19 80.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -69.17 163.53 24.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -117.58 68.79 5.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -170.94 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.296 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -164.93 -64.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mt -49.83 -52.07 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 86.4 m -49.81 -48.3 50.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.56 HD22 HD11 ' A' ' 76' ' ' ILE . 32.0 mt -56.18 -48.66 75.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.711 HD11 HD22 ' A' ' 75' ' ' LEU . 43.9 mm -55.91 -45.57 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -65.12 -51.1 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -54.19 -47.88 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.724 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.09 -54.95 31.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 79' ' ' GLY . 52.9 t -61.07 -35.14 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.2 mtp -65.49 -44.76 86.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.34 77.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.599 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.72 -53.21 42.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.3 t -52.86 -58.59 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.1 mm -55.36 -40.74 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.86 -51.96 56.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.653 HG22 ' CD1' ' B' ' 91' ' ' ILE . 3.2 m -57.33 -43.16 83.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 34.1 mm -55.69 -51.64 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -56.62 -53.51 56.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.19 -50.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.653 ' CD1' HG22 ' B' ' 87' ' ' THR . 95.9 mt -57.55 -48.51 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t -55.34 -30.66 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.27 -37.02 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.31 94.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.33 -32.29 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -43.55 52.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.43 26.99 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 28.0 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.9 m -152.63 157.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 62.51 149.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -165.11 140.28 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.63 58.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.98 171.24 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -51.16 142.86 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.82 150.52 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -154.82 -177.8 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -156.73 68.61 4.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.65 33.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.268 . . . . 0.0 112.37 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.691 ' OE1' HD12 ' B' ' 75' ' ' LEU . 3.7 mt-10 -78.33 48.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.57 -64.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.0 m -48.29 -39.96 23.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.754 HD22 HD11 ' B' ' 76' ' ' ILE . 27.6 mt -57.31 -52.86 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.66 HD11 HD22 ' B' ' 75' ' ' LEU . 42.3 mm -56.22 -45.45 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.72 -49.6 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -54.94 -47.1 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.68 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.68 -54.12 38.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.696 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.3 t -62.63 -34.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -47.15 75.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.16 79.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -60.97 -51.37 59.01 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.571 HG13 ' OG1' ' B' ' 87' ' ' THR . 47.4 t -53.98 -57.22 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.65 ' HA ' HD12 ' A' ' 88' ' ' ILE . 60.6 mt -55.74 -41.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.84 -52.17 53.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.655 HG21 HG13 ' B' ' 88' ' ' ILE . 3.0 m -57.07 -45.62 83.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.759 0.314 . . . . 0.0 111.13 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.674 HG13 HG21 ' B' ' 87' ' ' THR . 38.7 mt -53.41 -51.41 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.38 -53.01 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.23 -52.01 67.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.615 HG21 HG21 ' B' ' 91' ' ' ILE . 1.4 mp -55.6 -49.21 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -55.32 -30.51 60.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -36.19 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.33 -37.31 93.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.59 -32.17 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -41.59 58.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.814 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? 63.21 29.47 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.5 tt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.09 101.18 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 62.66 149.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mt 54.69 89.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.69 39.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 136.11 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -51.57 111.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -65.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -65.68 -166.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' B' ' 71' ' ' PRO . 5.1 tt0 -179.36 -59.28 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' B' ' 70' ' ' GLU . 53.6 Cg_endo -69.78 72.51 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.76 -55.11 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mt -50.19 -52.21 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -47.98 -50.3 27.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.691 HD12 ' OE1' ' A' ' 72' ' ' GLU . 63.6 mt -56.0 -50.0 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 75' ' ' LEU . 48.2 mm -56.18 -45.15 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.52 -49.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.44 -46.93 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.696 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.06 -54.06 39.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.0 t -62.53 -34.43 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmt -65.93 -46.71 77.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.02 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.574 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.47 -51.54 57.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.604 HG13 ' OG1' ' A' ' 87' ' ' THR . 49.1 t -53.92 -56.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' B' ' 88' ' ' ILE . 57.7 mt -55.71 -42.06 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -52.12 54.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.85 HG22 HD11 ' B' ' 91' ' ' ILE . 2.1 m -56.93 -44.15 82.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.2 mt -54.99 -51.2 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -56.57 -53.41 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.0 mt -57.46 -50.16 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.85 HD11 HG22 ' B' ' 87' ' ' THR . 41.8 mt -54.65 -48.05 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.12 -29.18 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.36 -37.83 68.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.76 93.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.2 mt -65.5 -32.09 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -74.94 -39.77 61.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 56.87 26.38 11.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.2 149.28 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.71 149.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 64' ' ' LEU . 4.3 pp -164.65 161.24 20.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.2 37.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.33 25.61 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.91 35.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -58.8 136.86 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 m -167.14 -176.59 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -163.96 67.38 1.51 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -23.83 30.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.676 ' HB3' HD12 ' A' ' 75' ' ' LEU . 3.1 mm-40 -78.25 49.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.55 -63.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.6 m -48.66 -39.56 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 25.6 mt -57.4 -53.46 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.675 HD11 HD22 ' B' ' 75' ' ' LEU . 43.9 mm -56.07 -44.63 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.76 -49.46 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.22 -47.94 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.685 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.04 -54.17 37.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.695 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.4 t -62.64 -34.65 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.93 -47.12 75.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.62 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.572 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.77 -51.32 58.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 80' ' ' VAL . 47.8 t -53.99 -57.98 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.66 ' HA ' HD12 ' A' ' 88' ' ' ILE . 40.2 mm -55.59 -40.93 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.75 -52.23 54.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.691 HG21 HG13 ' B' ' 88' ' ' ILE . 3.2 m -57.14 -44.49 83.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.133 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 85' ' ' ILE . 39.2 mt -54.42 -51.49 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.48 -53.14 60.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.36 -51.24 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.757 HG21 HG21 ' B' ' 91' ' ' ILE . 25.3 mm -55.56 -46.7 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.34 -34.48 64.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -70.69 -35.96 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.5 -37.32 93.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.436 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.5 mm -65.59 -31.6 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 111.061 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 97' ' ' ARG . 1.0 OUTLIER -72.42 -40.67 66.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.4 tpt180 76.92 -44.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.917 0.389 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.6 p -151.31 143.97 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 62.56 149.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.16 80.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.88 59.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 40.5 t60 46.54 84.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -51.22 113.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.05 168.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.23 160.3 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -119.35 74.08 15.32 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.621 0.725 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 78.14 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -75.06 -42.54 56.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mt -50.35 -54.26 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 59.1 m -49.3 -46.79 47.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.675 HD22 HD11 ' A' ' 76' ' ' ILE . 84.4 mt -56.21 -49.44 74.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 35.8 mm -55.89 -46.59 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' B' ' 81' ' ' MET . 25.7 mt -63.13 -49.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.35 -46.93 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.695 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.15 -53.66 42.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.6 t -62.65 -34.51 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' MET . . . . . 0.53 ' SD ' HG22 ' B' ' 77' ' ' ILE . 88.0 mtp -65.75 -46.62 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.1 82.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.541 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.67 -51.81 53.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.553 HG13 ' OG1' ' A' ' 87' ' ' THR . 52.3 t -53.53 -57.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.658 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.7 mm -55.45 -41.43 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.22 54.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.84 HG22 HD11 ' B' ' 91' ' ' ILE . 2.3 m -57.08 -43.84 82.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.691 HG13 HG21 ' A' ' 87' ' ' THR . 40.6 mt -55.05 -51.33 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.6 -53.32 58.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.5 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.84 HD11 HG22 ' B' ' 87' ' ' THR . 44.0 mt -54.63 -48.29 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -55.01 -27.35 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -37.32 69.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.4 98.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.534 HD12 ' O ' ' B' ' 91' ' ' ILE . 2.7 mp -65.6 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' B' ' 97' ' ' ARG . 0.0 OUTLIER -74.96 -38.78 61.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' B' ' 96' ' ' ARG . 8.4 ttm180 76.88 -44.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.91 149.66 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -75.81 165.61 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 2.0 pt? -153.63 -169.63 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.42 32.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 172.01 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.807 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -174.81 54.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.55 174.59 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.07 138.77 24.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -133.22 72.09 76.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -6.29 18.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -80.34 24.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mt -53.72 -57.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.8 m -50.01 -43.94 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.992 HD22 HD11 ' B' ' 76' ' ' ILE . 33.1 mt -56.22 -50.42 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.652 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -55.66 -46.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.508 HG22 ' SD ' ' A' ' 81' ' ' MET . 15.1 mt -63.02 -49.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.16 -48.09 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.673 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.0 -53.37 42.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.689 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.9 t -62.72 -35.19 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.127 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.508 ' SD ' HG22 ' A' ' 77' ' ' ILE . 7.5 mtt -65.9 -46.14 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.44 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.58 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.38 -52.22 52.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.582 HG13 ' OG1' ' B' ' 87' ' ' THR . 53.9 t -53.31 -57.8 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 88' ' ' ILE . 62.0 mt -55.44 -41.68 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.51 -52.32 53.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.693 HG22 ' CD1' ' A' ' 91' ' ' ILE . 2.3 m -56.77 -43.74 81.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 85' ' ' ILE . 36.6 mt -55.3 -51.48 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.45 -53.43 57.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.55 -50.57 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.693 ' CD1' HG22 ' A' ' 87' ' ' THR . 75.5 mt -57.01 -49.59 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.9 p -55.25 -29.79 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -72.97 -36.6 67.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.18 -36.97 93.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.5 mm -65.45 -31.85 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -42.49 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.97 77.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 98' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 24.6 t -92.14 68.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 62.6 149.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt 55.02 89.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.2 31.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -157.05 99.99 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.56 40.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.36 168.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.84 145.49 9.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 51.22 68.51 3.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.652 0.739 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -48.22 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.501 ' HG3' HD13 ' A' ' 75' ' ' LEU . 18.4 tt0 -67.56 -47.68 69.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mm -49.9 -51.44 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 33.4 m -49.42 -49.23 45.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 76' ' ' ILE . 96.3 mt -56.28 -49.94 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 75' ' ' LEU . 33.0 mm -56.49 -44.51 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.55 -49.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.2 -48.82 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.689 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.63 -54.2 36.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.0 t -62.39 -34.41 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 46.8 mmm -65.61 -47.03 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.09 82.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.43 -52.09 51.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 80' ' ' VAL . 50.9 t -53.43 -58.21 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.671 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.8 mm -55.61 -40.91 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.07 -52.18 54.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.716 HG22 ' CD1' ' B' ' 91' ' ' ILE . 2.5 m -57.18 -43.4 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.68 0.276 . . . . 0.0 111.089 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.5 mt -55.63 -51.17 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.76 -53.25 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.76 -50.31 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.716 ' CD1' HG22 ' B' ' 87' ' ' THR . 72.2 mt -56.91 -48.96 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -55.27 -30.25 59.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -72.57 -36.94 68.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.48 93.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mm -65.27 -30.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' B' ' 97' ' ' ARG . 0.0 OUTLIER -74.66 -44.17 51.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' B' ' 96' ' ' ARG . 0.8 OUTLIER 76.8 -44.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.4 t 63.38 77.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -85.06 170.45 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -163.17 168.91 20.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 46.69 35.73 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.29 99.58 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -176.01 77.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -59.36 149.92 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 m 48.29 -168.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -130.76 67.57 80.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 4.62 2.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.624 ' CG ' HD12 ' A' ' 75' ' ' LEU . 35.2 mm-40 -158.38 59.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.62 -65.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -43.73 -43.48 6.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.874 HD22 HD11 ' B' ' 76' ' ' ILE . 16.5 mt -56.78 -54.15 49.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.658 HD11 HD22 ' B' ' 75' ' ' LEU . 42.5 mm -55.58 -43.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.65 -49.8 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -54.91 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.664 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.56 -54.86 33.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.675 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.4 t -62.06 -34.38 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmm -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.64 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.531 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.32 -51.8 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 80' ' ' VAL . 55.0 t -54.33 -55.45 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.0 mt -55.7 -43.88 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.11 -51.32 56.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.44 HG21 HG13 ' B' ' 88' ' ' ILE . 2.2 m -57.18 -45.35 83.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.154 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.9 mm -53.92 -51.09 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.0 mt -56.51 -53.26 59.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.47 -51.24 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.446 HG21 HG21 ' B' ' 91' ' ' ILE . 25.1 mm -54.78 -48.5 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.4 m -55.27 -31.05 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -72.54 -37.02 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.89 -36.11 92.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.48 -32.4 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -75.08 -32.08 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 56.7 28.92 14.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 5.6 m -144.8 161.86 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -75.0 161.6 29.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 68.8 mt 55.11 -176.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.7 57.68 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 46.79 84.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.0 166.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -37.22 85.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t 48.17 -165.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 53.13 68.5 2.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.738 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 100.63 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -52.0 -57.72 8.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt -49.59 -54.12 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -49.23 -47.21 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.658 HD22 HD11 ' A' ' 76' ' ' ILE . 89.3 mt -55.94 -49.45 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.874 HD11 HD22 ' A' ' 75' ' ' LEU . 42.3 mm -55.83 -46.77 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.07 -49.93 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.78 -47.34 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.675 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.4 -54.18 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.7 t -62.27 -35.03 67.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.98 -45.12 82.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.93 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.512 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.62 -52.55 50.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 80' ' ' VAL . 56.1 t -53.01 -58.71 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.56 -41.27 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.87 -51.63 58.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -57.25 -44.9 84.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.16 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.3 mt -54.39 -51.02 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.51 -53.39 58.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 66.7 mt -57.45 -51.6 68.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.446 HG21 HG21 ' A' ' 91' ' ' ILE . 25.5 mm -54.96 -47.97 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -55.42 -32.6 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -71.94 -36.36 69.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.53 -37.36 93.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.46 -31.3 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -27.06 60.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 76.83 -44.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.4 m -81.0 150.3 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -84.19 148.44 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 2.1 pt? -162.68 -171.46 2.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.06 102.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -76.21 60.16 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -175.29 67.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.3 168.55 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.6 t -162.79 -167.47 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -157.94 68.28 3.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.44 18.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.45 24.87 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.1 mt -53.6 -57.45 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.8 m -50.0 -44.18 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.996 HD22 HD11 ' B' ' 76' ' ' ILE . 32.7 mt -56.09 -50.06 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.666 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -55.97 -46.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.35 -50.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -54.63 -48.53 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.704 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.84 -55.0 31.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.704 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.0 t -61.45 -34.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.347 . . . . 0.0 111.2 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 mmt -65.43 -46.3 80.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.84 78.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.587 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.98 -51.86 54.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 80' ' ' VAL . 51.1 t -53.69 -57.13 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.663 ' HA ' HD12 ' A' ' 88' ' ' ILE . 56.9 mt -55.59 -42.09 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.83 -51.99 54.82 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.629 HG21 HG13 ' B' ' 88' ' ' ILE . 2.6 m -57.03 -44.99 83.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 85' ' ' ILE . 37.6 mt -54.15 -51.21 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.9 mt -56.5 -53.38 58.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.8 mt -57.4 -51.41 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.939 HG21 HG21 ' B' ' 91' ' ' ILE . 26.6 mm -55.96 -48.18 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -55.04 -27.47 44.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -72.34 -36.37 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.15 97.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 91' ' ' ILE . 3.2 mp -65.7 -37.51 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.34 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -73.08 -37.38 66.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.67 25.54 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.558 ' O ' HG22 ' B' ' 62' ' ' VAL . 28.6 mmm-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.558 HG22 ' O ' ' B' ' 61' ' ' ARG . 11.5 m 43.64 -165.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 62.59 148.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.415 HD23 ' N ' ' B' ' 64' ' ' LEU . 1.1 pt? -164.68 133.8 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.09 -80.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.02 105.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.67 93.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.48 170.65 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.39 137.33 52.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -138.93 73.73 38.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 78.4 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.412 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.29 -46.65 87.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.0 mm -49.65 -53.75 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -49.42 -47.08 48.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 76' ' ' ILE . 96.7 mt -56.35 -49.0 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.996 HD11 HD22 ' A' ' 75' ' ' LEU . 34.3 mm -56.19 -45.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.28 -50.2 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -54.36 -48.35 71.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.704 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.12 -55.17 30.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.2 t -61.43 -33.86 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 111.096 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.51 -46.44 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.31 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.556 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.46 -52.12 51.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 80' ' ' VAL . 52.8 t -53.51 -57.07 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.667 ' HA ' HD12 ' B' ' 88' ' ' ILE . 59.4 mt -55.69 -41.93 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.14 -52.1 54.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.497 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.849 HG22 HD11 ' B' ' 91' ' ' ILE . 2.1 m -56.93 -44.15 82.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' B' ' 85' ' ' ILE . 38.3 mt -54.94 -51.24 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.63 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.4 -49.98 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.939 HG21 HG21 ' A' ' 91' ' ' ILE . 41.1 mt -54.74 -47.96 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -55.29 -29.45 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -72.44 -37.06 68.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.78 94.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.43 -31.16 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -73.55 -29.21 62.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.56 25.59 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' O ' HG12 ' A' ' 62' ' ' VAL . 16.5 mmt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER 63.73 157.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 62.61 149.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 3.8 pp -161.61 176.98 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.21 99.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -64.72 174.7 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -176.38 143.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.29 150.17 27.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.82 160.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -144.45 80.9 11.58 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -6.35 18.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' CB ' HD13 ' B' ' 75' ' ' LEU . 39.8 mp0 -80.21 24.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mt -53.44 -57.9 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 m -49.98 -43.84 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 33.8 mt -56.26 -50.28 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.639 HD11 HD22 ' B' ' 75' ' ' LEU . 50.7 mm -55.95 -45.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -63.61 -50.13 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -54.57 -48.54 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.667 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.79 -54.58 34.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.695 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.4 t -61.69 -34.75 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.17 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.8 mmm -65.71 -47.13 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.56 81.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.577 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.92 -51.93 53.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.598 HG13 ' OG1' ' B' ' 87' ' ' THR . 49.8 t -53.54 -58.53 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.675 ' HA ' HD12 ' A' ' 88' ' ' ILE . 41.2 mm -55.64 -40.33 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.62 -52.33 53.72 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.72 HG22 HD11 ' A' ' 91' ' ' ILE . 2.6 m -56.92 -43.59 81.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 111.177 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 85' ' ' ILE . 36.8 mt -55.46 -51.39 57.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.46 -53.36 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.972 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.54 -50.78 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.72 HD11 HG22 ' A' ' 87' ' ' THR . 69.7 mt -56.06 -48.35 79.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.9 m -55.24 -28.77 55.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.808 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -72.84 -37.26 67.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.44 -37.33 94.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.58 -31.62 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -37.29 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 56.77 29.29 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.5 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.623 HG22 ' O ' ' B' ' 62' ' ' VAL . 14.3 p 37.7 42.99 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.94 176.52 9.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.8 mt -153.41 124.47 7.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.62 93.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -69.0 114.39 7.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -51.31 104.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -60.72 -177.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t 71.54 -165.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -145.54 74.43 13.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 106.71 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -174.76 -58.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -49.65 -51.89 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 64.4 m -49.57 -48.74 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.639 HD22 HD11 ' A' ' 76' ' ' ILE . 96.3 mt -56.19 -49.08 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 33.9 mm -56.45 -45.36 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.27 -50.07 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -54.4 -48.89 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.695 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.73 -54.73 32.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 79' ' ' GLY . 45.8 t -61.73 -34.28 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.098 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 28.8 mmm -65.81 -47.01 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.43 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.611 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.13 -51.93 53.34 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.579 HG13 ' OG1' ' A' ' 87' ' ' THR . 50.6 t -53.65 -58.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.5 mm -55.63 -40.33 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.52 -52.33 53.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.712 HG22 ' CD1' ' B' ' 91' ' ' ILE . 2.8 m -57.06 -43.48 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 111.151 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.7 mt -55.44 -51.44 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.56 -53.35 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -57.45 -50.67 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.712 ' CD1' HG22 ' B' ' 87' ' ' THR . 73.8 mt -56.63 -49.29 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.15 -28.7 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.13 -37.06 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.38 94.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.7 mt -65.55 -31.49 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -74.74 -27.46 60.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 62.58 28.86 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' B' ' 71' ' ' PRO . 6.8 p -160.74 123.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.14 176.76 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 pp -162.13 169.26 21.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 46.75 47.73 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -158.93 84.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.79 160.83 0.94 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -25.12 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 m -155.09 -177.07 6.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.01 73.3 18.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 77.52 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.644 2.23 . . . . 0.0 112.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.594 ' HB3' HD13 ' B' ' 75' ' ' LEU . 77.5 mm-40 -156.7 22.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.23 -53.03 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.7 m -48.68 -47.6 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.566 HD21 ' HG3' ' B' ' 72' ' ' GLU . 6.6 mp -57.9 -55.16 38.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.678 HD11 HD22 ' B' ' 75' ' ' LEU . 39.5 mm -56.56 -42.87 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mm -65.0 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.581 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.77 -55.3 30.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.601 HG22 ' O ' ' B' ' 79' ' ' GLY . 57.1 t -62.79 -34.77 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.423 ' O ' HD13 ' A' ' 85' ' ' ILE . 8.1 mmt -67.32 -47.83 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.58 85.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.489 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.85 -51.55 54.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 80' ' ' VAL . 42.8 t -54.52 -60.62 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.163 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.423 HD13 ' O ' ' A' ' 81' ' ' MET . 1.6 mp -54.92 -38.21 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.16 -52.54 52.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.453 HG22 HD13 ' A' ' 91' ' ' ILE . 6.0 m -57.73 -43.74 85.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.5 mm -54.57 -52.08 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.42 -52.53 64.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 43.2 mt -57.4 -51.5 69.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.668 ' O ' HD12 ' A' ' 95' ' ' ILE . 1.4 mp -56.83 -48.74 80.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.8 t -54.78 -27.41 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -36.29 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.4 97.18 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 91' ' ' ILE . 3.6 mp -65.64 -37.16 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -75.04 -27.11 59.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 56.29 25.65 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 p -124.56 131.12 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -74.54 157.62 35.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.8 39.89 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.87 57.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -158.98 118.82 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -51.21 135.94 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.27 135.13 56.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.505 ' HB3' HG23 ' A' ' 62' ' ' VAL . 8.6 t -74.86 -167.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.2 75.6 2.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.614 ' HB3' HG21 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 147.02 61.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.347 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.566 ' HG3' HD21 ' A' ' 75' ' ' LEU . 13.0 tt0 -173.24 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.8 mp -49.96 -51.14 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 42.0 m -50.06 -49.05 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.678 HD22 HD11 ' A' ' 76' ' ' ILE . 97.1 mt -56.02 -48.75 75.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 80' ' ' VAL . 35.3 mm -55.92 -47.25 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mt -62.63 -49.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.37 -45.15 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.601 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -58.27 -51.35 59.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 79' ' ' GLY . 44.5 t -64.41 -35.56 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.4 mtp -66.41 -43.67 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.84 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.34 40.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 80' ' ' VAL . 65.4 t -53.88 -58.62 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 mm -54.91 -40.23 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.17 -51.92 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.859 HG22 HD11 ' B' ' 91' ' ' ILE . 2.7 m -57.45 -44.04 84.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 111.101 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mm -54.91 -51.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 mt -56.63 -53.26 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.4 -49.71 75.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.859 HD11 HG22 ' B' ' 87' ' ' THR . 41.7 mt -54.69 -47.82 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.5 t -55.29 -29.03 57.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.81 -37.38 67.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.69 93.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.44 -32.02 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -75.07 -26.56 59.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.96 25.57 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.7 t -145.06 97.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.45 176.72 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 2.4 pt? -155.11 179.58 9.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 71.96 31.33 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.11 166.47 31.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -176.3 80.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -176.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 t -69.24 -68.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 50.95 74.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 77.44 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -159.94 32.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.5 mt -48.0 -54.95 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.9 m -50.02 -48.16 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.858 HD22 HD11 ' B' ' 76' ' ' ILE . 14.4 mt -56.75 -49.05 76.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.588 HD11 HD22 ' B' ' 75' ' ' LEU . 51.8 mm -56.18 -45.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.67 -50.49 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.38 -47.89 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.724 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.36 -55.93 27.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.734 HG22 ' O ' ' B' ' 79' ' ' GLY . 49.0 t -60.64 -33.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 mmt -65.63 -44.78 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.93 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.58 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.66 -53.28 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.507 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 80' ' ' VAL . 58.8 t -53.51 -57.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.5 mm -54.86 -42.13 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.31 -53.36 46.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.551 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -54.93 -43.96 73.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.797 0.332 . . . . 0.0 111.159 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -56.21 -47.81 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.03 -55.19 38.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 90' ' ' LEU . 3.4 mm? -57.98 -50.9 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 mm -56.4 -47.7 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 64.6 m -55.34 -29.71 58.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -72.36 -37.0 68.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.66 -37.76 94.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.46 -30.95 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 111.107 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -73.97 -42.25 60.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 52.38 29.74 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.412 ' C ' HD22 ' A' ' 98' ' ' LEU . 1.2 tm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.848 0.356 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -125.18 102.16 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 148.5 39.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 81.6 mt -153.68 164.4 38.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.89 55.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.67 67.47 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -55.62 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -94.43 -39.57 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.8 m 48.23 -167.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.68 163.58 1.37 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.654 0.74 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 120.51 7.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -53.95 -27.79 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm -49.28 -52.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 84.2 m -49.71 -48.16 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.588 HD22 HD11 ' A' ' 76' ' ' ILE . 95.9 mt -56.21 -48.37 76.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 75' ' ' LEU . 38.9 mm -56.04 -46.3 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -64.46 -50.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -54.5 -48.03 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.734 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.18 -55.76 27.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.427 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.5 t -60.82 -34.17 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.75 -43.84 87.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.36 -46.49 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.563 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.54 -53.29 39.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 80' ' ' VAL . 66.8 t -53.97 -58.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.692 ' HA ' HD12 ' B' ' 88' ' ' ILE . 37.9 mm -55.44 -39.39 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.85 -52.6 51.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.452 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.842 HG22 HD11 ' B' ' 91' ' ' ILE . 3.2 m -57.35 -43.28 83.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 111.157 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' B' ' 85' ' ' ILE . 37.7 mt -55.28 -51.88 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.63 -53.14 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.21 -49.33 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.842 HD11 HG22 ' B' ' 87' ' ' THR . 42.6 mt -54.59 -49.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.8 p -55.33 -31.19 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -36.28 67.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.02 93.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mm -65.42 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.71 56.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 52.08 29.65 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 9.9 tt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.982 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.87 111.47 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.526 ' CD ' HG23 ' B' ' 74' ' ' THR . 3.5 mm-40 -83.9 177.33 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.661 HD11 ' CE2' ' B' ' 68' ' ' PHE . 1.9 pt? -159.63 -171.24 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.14 -78.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 46.85 85.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.73 127.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -58.3 159.55 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.4 149.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -157.52 74.69 4.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.663 0.745 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -31.42 20.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HB3' HD12 ' A' ' 75' ' ' LEU . 2.1 mm-40 -78.11 49.78 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -62.69 -64.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.9 m -48.15 -39.89 22.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.941 HD22 HD11 ' B' ' 76' ' ' ILE . 28.4 mt -57.19 -53.48 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.634 HD11 HD22 ' B' ' 75' ' ' LEU . 41.9 mm -55.93 -44.78 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.57 -49.39 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.21 -46.92 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.686 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.85 -54.04 39.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.693 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.9 t -62.75 -34.7 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmm -65.97 -46.89 76.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.85 79.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.574 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.64 -51.29 58.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.533 HG13 ' OG1' ' B' ' 87' ' ' THR . 46.7 t -53.98 -57.79 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' A' ' 88' ' ' ILE . 39.2 mm -55.44 -41.21 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.83 -52.12 55.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.838 HG22 HD11 ' A' ' 91' ' ' ILE . 2.0 m -57.11 -43.62 82.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.68 HG13 HG21 ' B' ' 87' ' ' THR . 37.7 mt -55.31 -51.36 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.58 -53.35 58.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.42 -50.09 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.838 HD11 HG22 ' A' ' 87' ' ' THR . 48.7 mt -55.75 -53.12 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 m -53.82 -28.64 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -36.29 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.42 -42.16 97.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 91' ' ' ILE . 3.1 mp -65.6 -38.38 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 111.177 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -75.29 -39.98 59.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.11 26.73 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.407 ' C ' HD22 ' A' ' 98' ' ' LEU . 1.2 tm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.45 124.22 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -74.36 175.99 7.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -163.74 -170.58 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.78 39.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.96 160.2 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.63 46.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' PHE . . . . . 0.661 ' CE2' HD11 ' A' ' 64' ' ' LEU . 1.6 p90 -51.03 155.12 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.62 146.43 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -157.45 68.87 4.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.663 0.744 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 -48.57 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.48 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 67.9 mt -49.85 -47.99 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.526 HG23 ' CD ' ' A' ' 63' ' ' GLN . 94.1 m -49.81 -52.53 31.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.634 HD22 HD11 ' A' ' 76' ' ' ILE . 73.3 mt -55.95 -49.78 72.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.941 HD11 HD22 ' A' ' 75' ' ' LEU . 34.3 mm -56.64 -44.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.61 -50.18 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -54.45 -46.55 73.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.693 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.52 -54.23 38.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.2 t -62.55 -34.12 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -47.13 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.36 81.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.546 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.13 -51.48 56.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 47.0 t -53.78 -57.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.651 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.52 -41.15 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.42 -52.23 53.99 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.68 HG21 HG13 ' A' ' 88' ' ' ILE . 3.2 m -57.12 -45.02 83.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 111.127 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.675 HG13 HG21 ' A' ' 87' ' ' THR . 40.0 mt -53.98 -51.19 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.59 -53.17 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.39 -51.29 70.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.765 HG21 HG21 ' A' ' 91' ' ' ILE . 25.9 mm -55.27 -45.52 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 3.7 t -55.34 -34.82 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -70.18 -36.36 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.14 -37.29 93.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.5 -31.14 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -74.36 -42.0 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.44 24.2 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.87 0.367 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 m -50.01 -44.03 50.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 32.3 mt -56.14 -50.02 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.64 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -56.07 -46.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.1 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.67 -48.32 72.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.682 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.95 -54.62 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.708 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.9 t -61.69 -34.69 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.8 mmm -65.69 -46.5 78.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.97 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.571 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.69 -52.17 52.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.473 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.555 HG13 ' OG1' ' B' ' 87' ' ' THR . 52.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.878 0.371 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -49.43 -48.51 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.64 HD22 HD11 ' A' ' 76' ' ' ILE . 96.4 mt -56.19 -49.24 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 33.7 mm -56.37 -45.26 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.33 -50.16 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.47 -48.47 71.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.708 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.01 -54.79 32.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.4 t -61.67 -34.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 39.8 mmm -65.69 -46.95 77.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.28 82.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.596 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.34 -52.17 51.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 80' ' ' VAL . 52.0 t -53.3 -58.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.549 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.61 -41.04 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.6 -51.99 55.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.555 ' OG1' HG13 ' A' ' 84' ' ' VAL . 3.1 m -57.13 -45.58 83.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' B' ' 85' ' ' ILE . 53.4 mt -53.67 -51.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.38 -53.2 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.29 -52.11 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.469 HD13 HG22 ' B' ' 87' ' ' THR . 1.4 mp -55.62 -48.54 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.19 -28.72 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -72.93 -36.66 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.92 -38.16 95.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.5 mm -65.5 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.916 0.389 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -49.91 -43.6 49.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.011 HD22 HD11 ' B' ' 76' ' ' ILE . 34.8 mt -56.32 -50.37 71.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.695 HD11 HD22 ' B' ' 75' ' ' LEU . 50.4 mm -56.07 -45.69 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.56 -49.89 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.71 -48.8 72.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.691 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.69 -54.77 32.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.706 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.4 t -61.69 -34.08 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.54 -47.03 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.08 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.554 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.62 -51.68 54.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 80' ' ' VAL . 48.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.329 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.956 0.407 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 62.7 m -48.46 -48.3 37.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 76' ' ' ILE . 97.3 mt -55.79 -48.28 75.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 1.011 HD11 HD22 ' A' ' 75' ' ' LEU . 34.2 mm -56.34 -46.67 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.552 HG22 ' SD ' ' B' ' 81' ' ' MET . 19.9 mt -63.83 -50.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -54.27 -47.75 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.706 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.69 -54.18 38.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.2 t -61.92 -34.27 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.552 ' SD ' HG22 ' B' ' 77' ' ' ILE . 75.4 mtp -65.42 -46.66 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.9 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.562 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.93 -52.08 50.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 80' ' ' VAL . 53.7 t -53.28 -58.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.645 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.47 -41.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.49 -52.04 55.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.437 ' OG1' HG13 ' A' ' 84' ' ' VAL . 3.0 m -57.17 -44.79 83.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.137 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.4 mt -54.22 -51.44 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.45 -53.1 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.48 -51.4 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.4 mm -54.92 -48.84 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.2 m -55.24 -29.12 57.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -72.95 -37.28 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -36.99 93.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.48 -31.78 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.893 0.378 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.7 m -50.01 -44.31 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.015 HD22 HD11 ' B' ' 76' ' ' ILE . 32.6 mt -56.08 -49.86 72.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.716 HD11 HD22 ' B' ' 75' ' ' LEU . 50.2 mm -56.05 -46.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.3 mt -63.26 -50.01 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.709 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.78 -54.63 33.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.721 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.7 t -61.77 -34.46 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.1 mmt -65.68 -46.63 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.79 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.593 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.83 -52.04 53.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 80' ' ' VAL . 51.3 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.896 0.379 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 54.4 m -48.76 -47.75 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 76' ' ' ILE . 97.2 mt -56.02 -48.98 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 1.015 HD11 HD22 ' A' ' 75' ' ' LEU . 33.7 mm -56.48 -45.76 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.98 -49.96 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -54.47 -48.69 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.721 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.96 -54.94 31.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.507 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.3 t -61.47 -34.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 9.9 mmt -65.61 -47.2 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.11 83.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.592 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.54 -52.2 50.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 80' ' ' VAL . 50.6 t -53.06 -57.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.549 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.8 mm -55.66 -42.2 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -51.24 59.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.579 HG22 HD13 ' B' ' 91' ' ' ILE . 2.0 m -57.32 -47.28 81.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' B' ' 85' ' ' ILE . 45.7 mt -52.44 -50.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.34 -53.02 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 87' ' ' THR . 7.3 mt -57.3 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.579 HD13 HG22 ' B' ' 87' ' ' THR . 1.6 mp -55.94 -48.92 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.4 p -55.34 -31.43 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.21 -36.44 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.25 93.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.5 -31.64 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.859 0.361 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -50.09 -50.93 46.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.7 HD22 HD11 ' B' ' 76' ' ' ILE . 89.4 mt -55.59 -50.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.518 HG12 HD23 ' B' ' 75' ' ' LEU . 29.3 mm -56.51 -45.38 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -63.48 -49.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -54.25 -47.78 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.596 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.74 -53.6 42.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.537 HG22 ' O ' ' B' ' 79' ' ' GLY . 45.2 t -62.61 -34.11 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.05 -47.43 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.58 84.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.484 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -63.03 -52.08 50.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 80' ' ' VAL . 46.5 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.922 0.391 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 92.0 m -49.35 -49.59 43.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 76' ' ' ILE . 6.4 mp -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.7 HD11 HD22 ' A' ' 75' ' ' LEU . 38.8 mm -56.02 -45.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -65.12 -50.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -54.78 -49.33 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.537 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -54.91 -54.78 31.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.4 t -61.4 -35.44 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 14.5 mmt -66.1 -48.45 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.23 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.522 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -60.7 -50.89 62.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 80' ' ' VAL . 39.5 t -54.56 -58.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.663 ' HA ' HD12 ' B' ' 88' ' ' ILE . 63.4 mt -55.67 -40.13 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.57 52.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -57.07 -44.4 83.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' B' ' 85' ' ' ILE . 38.6 mt -54.31 -51.77 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.3 mt -56.46 -53.14 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.28 -50.57 72.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.79 -47.9 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.9 t -55.25 -30.42 60.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.85 -38.15 67.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.98 -34.7 90.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.06 -30.87 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.956 0.407 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -49.18 -43.3 42.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.784 HD22 HD11 ' B' ' 76' ' ' ILE . 37.8 mt -56.53 -50.27 72.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.627 HD11 HD22 ' B' ' 75' ' ' LEU . 48.7 mm -56.04 -46.93 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.21 -49.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -54.84 -46.94 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.708 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.7 -54.74 34.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.725 HG22 ' O ' ' B' ' 79' ' ' GLY . 49.2 t -61.97 -35.04 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.9 mmt -66.0 -44.39 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.65 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.572 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.34 -52.62 50.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.9 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 78.9 m -49.43 -49.06 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.627 HD22 HD11 ' A' ' 76' ' ' ILE . 96.0 mt -56.06 -49.96 72.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.784 HD11 HD22 ' A' ' 75' ' ' LEU . 43.9 mm -56.23 -45.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mm -63.81 -50.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -54.5 -47.42 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.725 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.72 -55.11 31.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.0 t -61.68 -34.07 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.76 -45.5 82.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.55 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.569 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.88 -52.08 52.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 54.7 t -54.47 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.5 mt -55.72 -43.29 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.86 -51.5 56.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.841 HG22 HD11 ' B' ' 91' ' ' ILE . 1.9 m -57.08 -44.09 82.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.114 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 32.3 mm -55.19 -51.17 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.61 -53.54 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.9 mt -57.5 -50.08 74.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.841 HD11 HG22 ' B' ' 87' ' ' THR . 43.5 mt -54.7 -47.63 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.19 -29.62 58.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -72.58 -37.04 68.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.51 94.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.56 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.868 0.366 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.0 m -53.17 -44.82 68.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.006 HD22 HD11 ' B' ' 76' ' ' ILE . 32.3 mt -56.51 -48.91 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.585 HD11 HD22 ' B' ' 75' ' ' LEU . 49.6 mm -56.34 -46.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.7 -50.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -54.43 -48.59 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.719 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.07 -55.34 29.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.71 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.1 t -61.0 -33.59 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.4 mmt -65.16 -47.7 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.38 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.566 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.47 -51.64 52.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 80' ' ' VAL . 49.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.946 0.403 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 53.7 m -49.2 -46.73 46.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 76' ' ' ILE . 76.3 mt -56.4 -48.43 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 1.006 HD11 HD22 ' A' ' 75' ' ' LEU . 33.5 mm -56.2 -46.55 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.555 HG22 ' SD ' ' B' ' 81' ' ' MET . 16.4 mt -64.09 -50.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -54.3 -47.59 72.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.71 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.76 -54.48 36.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.8 t -61.67 -34.26 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.356 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.555 ' SD ' HG22 ' B' ' 77' ' ' ILE . 10.7 mtp -65.26 -46.4 80.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.03 82.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.558 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.06 -52.21 49.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.4 t -53.27 -57.99 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.64 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.56 -41.26 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.41 -52.01 55.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -57.16 -45.19 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.4 mt -53.87 -51.39 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.42 -53.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.43 -51.38 69.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 26.0 mm -55.25 -49.5 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m -55.16 -29.04 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -72.96 -36.58 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.15 -37.82 94.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.53 -32.12 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.91 0.386 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.7 m -48.94 -41.2 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 HD11 ' B' ' 76' ' ' ILE . 96.0 mt -57.38 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.54 HD11 HD22 ' B' ' 75' ' ' LEU . 44.6 mm -55.99 -44.54 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -62.86 -49.64 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.77 -47.56 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.67 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.61 -54.73 34.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.674 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.6 t -62.14 -34.01 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmm -65.84 -47.4 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.548 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.24 -51.33 57.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 80' ' ' VAL . 46.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.5 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 88.0 m -49.06 -47.76 44.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.54 HD22 HD11 ' A' ' 76' ' ' ILE . 95.6 mt -56.22 -50.14 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.412 ' O ' HG23 ' B' ' 80' ' ' VAL . 45.7 mm -56.03 -45.14 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.84 -50.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.46 -47.66 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.674 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.56 -54.49 35.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.7 t -62.21 -34.02 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.73 -46.75 77.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.48 80.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.532 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.05 -51.58 55.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 49.9 t -54.02 -57.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.318 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.684 ' HA ' HD12 ' B' ' 88' ' ' ILE . 56.2 mt -55.54 -41.71 65.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.24 -52.16 54.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.842 HG22 HD11 ' B' ' 91' ' ' ILE . 2.4 m -57.06 -44.07 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.108 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.2 mt -54.84 -51.37 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.61 -53.51 56.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.34 -49.83 74.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.842 HD11 HG22 ' B' ' 87' ' ' THR . 42.9 mt -54.69 -48.97 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.8 t -55.21 -28.67 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -73.15 -36.95 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.47 94.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.57 -31.68 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.895 0.379 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.1 m -55.5 -45.82 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.92 HD22 HD11 ' B' ' 76' ' ' ILE . 31.1 mt -56.45 -47.62 78.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 80' ' ' VAL . 43.3 mm -56.63 -46.84 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.1 mt -63.62 -49.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.58 -48.36 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.706 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.98 -54.78 32.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.712 HG22 ' O ' ' B' ' 79' ' ' GLY . 45.8 t -61.62 -34.47 62.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.4 mmm -65.57 -46.43 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.41 81.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.609 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -62.63 -52.3 49.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.537 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.53 HG13 ' OG1' ' B' ' 87' ' ' THR . 54.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.878 0.371 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.7 m -49.29 -47.76 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.415 HD22 HD11 ' A' ' 76' ' ' ILE . 40.8 mt -56.27 -49.08 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.92 HD11 HD22 ' A' ' 75' ' ' LEU . 32.1 mm -56.29 -45.64 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.15 -50.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -54.44 -48.83 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.71 -54.89 31.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.2 t -61.73 -34.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.3 mmt -65.74 -46.39 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.5 81.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.618 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.38 -52.3 50.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.2 t -53.37 -58.34 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.59 -40.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.3 -52.36 53.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.748 HG22 HD11 ' B' ' 91' ' ' ILE . 2.7 m -56.99 -43.37 81.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 85' ' ' ILE . 33.9 mt -55.54 -51.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 48.4 mt -56.54 -53.15 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.53 -50.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.748 HD11 HG22 ' B' ' 87' ' ' THR . 62.1 mt -54.95 -48.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t -55.29 -28.38 53.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -73.11 -37.09 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.49 94.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.39 -31.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.5 m -49.79 -47.84 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.647 HD22 HD11 ' B' ' 76' ' ' ILE . 62.6 mt -56.23 -48.43 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.648 HD11 HD22 ' B' ' 75' ' ' LEU . 43.9 mm -55.77 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.12 -50.66 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.34 -48.91 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.751 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.73 -56.07 25.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.752 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.7 t -60.37 -33.75 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.078 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmt -65.17 -45.02 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.36 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.606 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -62.91 -52.45 48.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.956 0.408 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m -49.82 -48.2 50.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.648 HD22 HD11 ' A' ' 76' ' ' ILE . 63.4 mt -56.19 -48.42 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.647 HD11 HD22 ' A' ' 75' ' ' LEU . 44.1 mm -55.84 -46.07 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.12 -50.64 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -54.47 -48.92 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.752 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.66 -56.12 25.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.0 t -60.24 -33.76 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 111.089 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.0 mmt -65.28 -45.24 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.99 78.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.573 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.07 -52.73 45.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 54.6 t -53.36 -58.24 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 111.189 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' B' ' 88' ' ' ILE . 38.2 mm -55.42 -40.64 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.89 -52.18 54.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.519 HG22 HD13 ' B' ' 91' ' ' ILE . 3.0 m -57.22 -44.82 84.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' B' ' 85' ' ' ILE . 55.3 mt -54.13 -51.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.6 -52.86 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.4 -51.76 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.519 HD13 HG22 ' B' ' 87' ' ' THR . 1.4 mp -54.81 -47.88 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.24 -28.44 53.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.72 -37.08 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.15 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.21 -31.32 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.881 0.372 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -51.13 -45.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.965 HD22 HD11 ' B' ' 76' ' ' ILE . 33.4 mt -56.13 -49.39 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 HD22 ' B' ' 75' ' ' LEU . 51.6 mm -56.11 -46.49 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -63.71 -50.02 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.44 -47.95 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.744 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.36 -56.22 25.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.754 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.9 t -60.56 -33.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.3 mmt -65.69 -44.06 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.19 77.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.546 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.92 -53.29 38.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 80' ' ' VAL . 64.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.931 0.396 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 87.1 m -49.96 -47.8 52.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.646 HD22 HD11 ' A' ' 76' ' ' ILE . 93.6 mt -56.25 -48.73 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.965 HD11 HD22 ' A' ' 75' ' ' LEU . 37.2 mm -55.94 -46.45 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.29 -50.0 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -54.67 -47.39 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.754 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.87 -55.95 27.44 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 79' ' ' GLY . 58.7 t -60.67 -33.89 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.071 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.469 ' O ' HD13 ' B' ' 85' ' ' ILE . 14.8 mmt -65.64 -44.92 84.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.09 83.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.551 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -64.41 -53.25 36.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 80' ' ' VAL . 64.3 t -53.46 -59.7 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 111.18 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.469 HD13 ' O ' ' B' ' 81' ' ' MET . 1.5 mp -55.21 -39.24 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.67 -52.04 55.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.493 HG22 HD13 ' B' ' 91' ' ' ILE . 4.2 m -57.7 -44.29 85.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 35.6 mm -54.36 -51.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.43 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.5 -51.69 68.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.493 HD13 HG22 ' B' ' 87' ' ' THR . 1.4 mp -55.92 -48.14 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -72.55 -36.78 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.81 -38.12 95.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.38 -33.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.907 0.384 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.6 m -50.28 -50.51 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 HD11 ' B' ' 76' ' ' ILE . 62.2 mt -55.78 -47.7 76.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.56 HD11 HD22 ' B' ' 75' ' ' LEU . 41.1 mm -56.49 -45.84 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.9 mt -64.85 -50.49 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.47 -49.37 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.725 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.18 -55.47 28.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.724 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.2 t -60.8 -34.84 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.5 mmt -65.94 -44.02 86.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.78 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.601 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.04 -53.5 39.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 80' ' ' VAL . 70.1 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.923 0.392 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 86.4 m -49.81 -48.3 50.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.56 HD22 HD11 ' A' ' 76' ' ' ILE . 32.0 mt -56.18 -48.66 75.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.711 HD11 HD22 ' A' ' 75' ' ' LEU . 43.9 mm -55.91 -45.57 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -65.12 -51.1 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -54.19 -47.88 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.724 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.09 -54.95 31.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 79' ' ' GLY . 52.9 t -61.07 -35.14 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.2 mtp -65.49 -44.76 86.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.34 77.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.599 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.72 -53.21 42.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.3 t -52.86 -58.59 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.1 mm -55.36 -40.74 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.86 -51.96 56.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.653 HG22 ' CD1' ' B' ' 91' ' ' ILE . 3.2 m -57.33 -43.16 83.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 34.1 mm -55.69 -51.64 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -56.62 -53.51 56.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.19 -50.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.653 ' CD1' HG22 ' B' ' 87' ' ' THR . 95.9 mt -57.55 -48.51 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t -55.34 -30.66 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.27 -37.02 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.31 94.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.33 -32.29 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.0 m -48.29 -39.96 23.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.754 HD22 HD11 ' B' ' 76' ' ' ILE . 27.6 mt -57.31 -52.86 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.66 HD11 HD22 ' B' ' 75' ' ' LEU . 42.3 mm -56.22 -45.45 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.72 -49.6 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -54.94 -47.1 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.68 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.68 -54.12 38.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.696 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.3 t -62.63 -34.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -47.15 75.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.16 79.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -60.97 -51.37 59.01 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.571 HG13 ' OG1' ' B' ' 87' ' ' THR . 47.4 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.164 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.883 0.373 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -47.98 -50.3 27.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.66 HD22 HD11 ' A' ' 76' ' ' ILE . 63.6 mt -56.0 -50.0 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 75' ' ' LEU . 48.2 mm -56.18 -45.15 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.52 -49.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.44 -46.93 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.696 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.06 -54.06 39.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.0 t -62.53 -34.43 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmt -65.93 -46.71 77.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.02 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.574 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.47 -51.54 57.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 80' ' ' VAL . 49.1 t -53.92 -56.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' B' ' 88' ' ' ILE . 57.7 mt -55.71 -42.06 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -52.12 54.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.85 HG22 HD11 ' B' ' 91' ' ' ILE . 2.1 m -56.93 -44.15 82.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.2 mt -54.99 -51.2 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -56.57 -53.41 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.0 mt -57.46 -50.16 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.85 HD11 HG22 ' B' ' 87' ' ' THR . 41.8 mt -54.65 -48.05 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.12 -29.18 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.36 -37.83 68.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.76 93.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.2 mt -65.5 -32.09 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.907 0.384 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.6 m -48.66 -39.56 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 25.6 mt -57.4 -53.46 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.675 HD11 HD22 ' B' ' 75' ' ' LEU . 43.9 mm -56.07 -44.63 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.76 -49.46 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.22 -47.94 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.685 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.04 -54.17 37.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.695 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.4 t -62.64 -34.65 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.93 -47.12 75.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.62 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.572 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.77 -51.32 58.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 80' ' ' VAL . 47.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 59.1 m -49.3 -46.79 47.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.675 HD22 HD11 ' A' ' 76' ' ' ILE . 84.4 mt -56.21 -49.44 74.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 35.8 mm -55.89 -46.59 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' B' ' 81' ' ' MET . 25.7 mt -63.13 -49.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.35 -46.93 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.695 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.15 -53.66 42.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.6 t -62.65 -34.51 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . 0.53 ' SD ' HG22 ' B' ' 77' ' ' ILE . 88.0 mtp -65.75 -46.62 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.1 82.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.541 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.67 -51.81 53.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 80' ' ' VAL . 52.3 t -53.53 -57.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.658 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.7 mm -55.45 -41.43 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.22 54.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.84 HG22 HD11 ' B' ' 91' ' ' ILE . 2.3 m -57.08 -43.84 82.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.6 mt -55.05 -51.33 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.6 -53.32 58.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.5 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.84 HD11 HG22 ' B' ' 87' ' ' THR . 44.0 mt -54.63 -48.29 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -55.01 -27.35 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -37.32 69.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.4 98.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.534 HD12 ' O ' ' B' ' 91' ' ' ILE . 2.7 mp -65.6 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.878 0.37 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.8 m -50.01 -43.94 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.992 HD22 HD11 ' B' ' 76' ' ' ILE . 33.1 mt -56.22 -50.42 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.652 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -55.66 -46.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.508 HG22 ' SD ' ' A' ' 81' ' ' MET . 15.1 mt -63.02 -49.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.16 -48.09 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.673 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.0 -53.37 42.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.689 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.9 t -62.72 -35.19 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.127 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.508 ' SD ' HG22 ' A' ' 77' ' ' ILE . 7.5 mtt -65.9 -46.14 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.44 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.58 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.38 -52.22 52.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.582 HG13 ' OG1' ' B' ' 87' ' ' THR . 53.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 33.4 m -49.42 -49.23 45.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 76' ' ' ILE . 96.3 mt -56.28 -49.94 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 75' ' ' LEU . 33.0 mm -56.49 -44.51 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.55 -49.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.2 -48.82 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.689 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.63 -54.2 36.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.0 t -62.39 -34.41 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 46.8 mmm -65.61 -47.03 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.09 82.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.43 -52.09 51.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 80' ' ' VAL . 50.9 t -53.43 -58.21 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.671 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.8 mm -55.61 -40.91 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.07 -52.18 54.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.716 HG22 ' CD1' ' B' ' 91' ' ' ILE . 2.5 m -57.18 -43.4 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.68 0.276 . . . . 0.0 111.089 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.5 mt -55.63 -51.17 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.76 -53.25 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.76 -50.31 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.716 ' CD1' HG22 ' B' ' 87' ' ' THR . 72.2 mt -56.91 -48.96 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -55.27 -30.25 59.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -72.57 -36.94 68.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.48 93.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mm -65.27 -30.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.93 0.395 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -43.73 -43.48 6.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.874 HD22 HD11 ' B' ' 76' ' ' ILE . 16.5 mt -56.78 -54.15 49.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.658 HD11 HD22 ' B' ' 75' ' ' LEU . 42.5 mm -55.58 -43.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.65 -49.8 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -54.91 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.664 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.56 -54.86 33.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.675 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.4 t -62.06 -34.38 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmm -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.64 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.531 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.32 -51.8 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 80' ' ' VAL . 55.0 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.956 0.408 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -49.23 -47.21 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.658 HD22 HD11 ' A' ' 76' ' ' ILE . 89.3 mt -55.94 -49.45 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.874 HD11 HD22 ' A' ' 75' ' ' LEU . 42.3 mm -55.83 -46.77 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.07 -49.93 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.78 -47.34 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.675 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.4 -54.18 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.7 t -62.27 -35.03 67.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.98 -45.12 82.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.93 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.512 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.62 -52.55 50.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 80' ' ' VAL . 56.1 t -53.01 -58.71 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.56 -41.27 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.87 -51.63 58.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -57.25 -44.9 84.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.16 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.3 mt -54.39 -51.02 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.51 -53.39 58.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 66.7 mt -57.45 -51.6 68.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.5 mm -54.96 -47.97 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -55.42 -32.6 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -71.94 -36.36 69.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.53 -37.36 93.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.46 -31.3 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.91 0.386 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.8 m -50.0 -44.18 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.996 HD22 HD11 ' B' ' 76' ' ' ILE . 32.7 mt -56.09 -50.06 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.666 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -55.97 -46.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.35 -50.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -54.63 -48.53 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.704 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.84 -55.0 31.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.704 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.0 t -61.45 -34.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.347 . . . . 0.0 111.2 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 mmt -65.43 -46.3 80.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.84 78.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.587 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.98 -51.86 54.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 80' ' ' VAL . 51.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.0 mm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -49.42 -47.08 48.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 76' ' ' ILE . 96.7 mt -56.35 -49.0 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.996 HD11 HD22 ' A' ' 75' ' ' LEU . 34.3 mm -56.19 -45.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.28 -50.2 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -54.36 -48.35 71.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.704 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.12 -55.17 30.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.2 t -61.43 -33.86 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 111.096 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.51 -46.44 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.31 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.556 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.46 -52.12 51.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 80' ' ' VAL . 52.8 t -53.51 -57.07 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.667 ' HA ' HD12 ' B' ' 88' ' ' ILE . 59.4 mt -55.69 -41.93 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.14 -52.1 54.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.497 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.849 HG22 HD11 ' B' ' 91' ' ' ILE . 2.1 m -56.93 -44.15 82.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' B' ' 85' ' ' ILE . 38.3 mt -54.94 -51.24 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.63 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.4 -49.98 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.849 HD11 HG22 ' B' ' 87' ' ' THR . 41.1 mt -54.74 -47.96 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -55.29 -29.45 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -72.44 -37.06 68.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.78 94.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.43 -31.16 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.904 0.383 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 m -49.98 -43.84 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 33.8 mt -56.26 -50.28 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.639 HD11 HD22 ' B' ' 75' ' ' LEU . 50.7 mm -55.95 -45.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -63.61 -50.13 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -54.57 -48.54 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.667 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.79 -54.58 34.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.695 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.4 t -61.69 -34.75 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.17 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.8 mmm -65.71 -47.13 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.56 81.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.577 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.92 -51.93 53.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.598 HG13 ' OG1' ' B' ' 87' ' ' THR . 49.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.876 0.37 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 64.4 m -49.57 -48.74 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.639 HD22 HD11 ' A' ' 76' ' ' ILE . 96.3 mt -56.19 -49.08 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 33.9 mm -56.45 -45.36 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.27 -50.07 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -54.4 -48.89 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.695 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.73 -54.73 32.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 79' ' ' GLY . 45.8 t -61.73 -34.28 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.098 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 28.8 mmm -65.81 -47.01 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.43 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.611 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.13 -51.93 53.34 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 80' ' ' VAL . 50.6 t -53.65 -58.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.5 mm -55.63 -40.33 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.52 -52.33 53.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.712 HG22 ' CD1' ' B' ' 91' ' ' ILE . 2.8 m -57.06 -43.48 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 111.151 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.7 mt -55.44 -51.44 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.56 -53.35 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -57.45 -50.67 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.712 ' CD1' HG22 ' B' ' 87' ' ' THR . 73.8 mt -56.63 -49.29 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.15 -28.7 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.13 -37.06 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.38 94.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.7 mt -65.55 -31.49 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.922 0.391 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.7 m -48.68 -47.6 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -57.9 -55.16 38.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.678 HD11 HD22 ' B' ' 75' ' ' LEU . 39.5 mm -56.56 -42.87 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mm -65.0 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.581 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.77 -55.3 30.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.601 HG22 ' O ' ' B' ' 79' ' ' GLY . 57.1 t -62.79 -34.77 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.1 mmt -67.32 -47.83 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.58 85.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.489 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.85 -51.55 54.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 80' ' ' VAL . 42.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.163 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 42.0 m -50.06 -49.05 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.678 HD22 HD11 ' A' ' 76' ' ' ILE . 97.1 mt -56.02 -48.75 75.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 80' ' ' VAL . 35.3 mm -55.92 -47.25 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mt -62.63 -49.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.37 -45.15 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.601 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -58.27 -51.35 59.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 79' ' ' GLY . 44.5 t -64.41 -35.56 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.4 mtp -66.41 -43.67 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.84 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.34 40.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 80' ' ' VAL . 65.4 t -53.88 -58.62 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 mm -54.91 -40.23 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.17 -51.92 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.859 HG22 HD11 ' B' ' 91' ' ' ILE . 2.7 m -57.45 -44.04 84.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 111.101 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mm -54.91 -51.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 mt -56.63 -53.26 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.4 -49.71 75.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.859 HD11 HG22 ' B' ' 87' ' ' THR . 41.7 mt -54.69 -47.82 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.5 t -55.29 -29.03 57.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.81 -37.38 67.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.69 93.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.44 -32.02 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.9 m -50.02 -48.16 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.858 HD22 HD11 ' B' ' 76' ' ' ILE . 14.4 mt -56.75 -49.05 76.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.588 HD11 HD22 ' B' ' 75' ' ' LEU . 51.8 mm -56.18 -45.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.67 -50.49 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.38 -47.89 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.724 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.36 -55.93 27.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.734 HG22 ' O ' ' B' ' 79' ' ' GLY . 49.0 t -60.64 -33.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 mmt -65.63 -44.78 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.93 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.58 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.66 -53.28 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.507 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 80' ' ' VAL . 58.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.862 0.363 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 84.2 m -49.71 -48.16 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.588 HD22 HD11 ' A' ' 76' ' ' ILE . 95.9 mt -56.21 -48.37 76.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 75' ' ' LEU . 38.9 mm -56.04 -46.3 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -64.46 -50.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -54.5 -48.03 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.734 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.18 -55.76 27.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.427 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.5 t -60.82 -34.17 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.75 -43.84 87.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.36 -46.49 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.563 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.54 -53.29 39.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 80' ' ' VAL . 66.8 t -53.97 -58.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.692 ' HA ' HD12 ' B' ' 88' ' ' ILE . 37.9 mm -55.44 -39.39 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.85 -52.6 51.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.452 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.842 HG22 HD11 ' B' ' 91' ' ' ILE . 3.2 m -57.35 -43.28 83.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 111.157 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' B' ' 85' ' ' ILE . 37.7 mt -55.28 -51.88 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.63 -53.14 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.21 -49.33 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.842 HD11 HG22 ' B' ' 87' ' ' THR . 42.6 mt -54.59 -49.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.8 p -55.33 -31.19 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -36.28 67.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.02 93.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mm -65.42 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.909 0.385 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.9 m -48.15 -39.89 22.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.941 HD22 HD11 ' B' ' 76' ' ' ILE . 28.4 mt -57.19 -53.48 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.634 HD11 HD22 ' B' ' 75' ' ' LEU . 41.9 mm -55.93 -44.78 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.57 -49.39 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.21 -46.92 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.686 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.85 -54.04 39.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.693 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.9 t -62.75 -34.7 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmm -65.97 -46.89 76.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.85 79.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.574 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.64 -51.29 58.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.533 HG13 ' OG1' ' B' ' 87' ' ' THR . 46.7 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.927 0.394 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 94.1 m -49.81 -52.53 31.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.634 HD22 HD11 ' A' ' 76' ' ' ILE . 73.3 mt -55.95 -49.78 72.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.941 HD11 HD22 ' A' ' 75' ' ' LEU . 34.3 mm -56.64 -44.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.61 -50.18 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -54.45 -46.55 73.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.693 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.52 -54.23 38.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.2 t -62.55 -34.12 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -47.13 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.36 81.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.546 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.13 -51.48 56.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 47.0 t -53.78 -57.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.651 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.52 -41.15 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.42 -52.23 53.99 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.533 ' OG1' HG13 ' A' ' 84' ' ' VAL . 3.2 m -57.12 -45.02 83.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 111.127 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.0 mt -53.98 -51.19 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.59 -53.17 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.39 -51.29 70.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 mm -55.27 -45.52 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 3.7 t -55.34 -34.82 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -70.18 -36.36 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.14 -37.29 93.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.5 -31.14 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.1 mtm-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.36 135.76 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.25 177.06 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 65.9 mt -153.42 158.59 41.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.16 100.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.74 100.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -179.36 163.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.69 150.37 26.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.1 m -158.18 -176.53 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 51.63 69.68 2.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.687 0.756 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -6.33 18.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.749 2.299 . . . . 0.0 112.361 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -80.28 24.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt -53.68 -57.6 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 m -50.01 -44.03 50.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 32.3 mt -56.14 -50.02 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.64 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -56.07 -46.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.1 mt -63.24 -49.97 80.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.67 -48.32 72.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.682 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.95 -54.62 34.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.708 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.9 t -61.69 -34.69 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 40.8 mmm -65.69 -46.5 78.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.97 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.571 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.69 -52.17 52.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.473 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.555 HG13 ' OG1' ' B' ' 87' ' ' THR . 52.2 t -53.46 -57.39 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.543 ' HA ' HD12 ' A' ' 88' ' ' ILE . 54.7 mt -55.57 -41.98 66.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.96 -51.73 56.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.619 HG21 HG13 ' B' ' 88' ' ' ILE . 3.1 m -57.15 -45.63 83.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.737 0.303 . . . . 0.0 111.12 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.579 HG13 HG21 ' B' ' 87' ' ' THR . 52.6 mt -53.72 -51.07 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.34 -53.46 57.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 67.7 mt -57.4 -51.61 68.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.516 HG21 HG21 ' B' ' 91' ' ' ILE . 27.2 mm -55.15 -48.91 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.6 t -55.11 -29.1 56.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -73.08 -36.93 66.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.82 -37.34 94.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.47 -32.34 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 97' ' ' ARG . 1.1 ttt180 -74.94 -40.94 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.1 tpp85 76.95 -44.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.4 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 p -167.79 131.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 62.69 149.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' B' ' 65' ' ' ALA . 10.1 mt 55.11 -175.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 64' ' ' LEU . . . 72.1 33.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 21.9 t60 46.66 84.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -51.32 119.48 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.42 170.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.7 t -164.37 -167.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -149.01 71.08 10.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.28 6.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.383 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -168.52 -64.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.2 mt -49.8 -52.25 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -49.43 -48.51 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.64 HD22 HD11 ' A' ' 76' ' ' ILE . 96.4 mt -56.19 -49.24 74.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 33.7 mm -56.37 -45.26 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.33 -50.16 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.47 -48.47 71.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.708 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.01 -54.79 32.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.4 t -61.67 -34.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 39.8 mmm -65.69 -46.95 77.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.28 82.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.596 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.34 -52.17 51.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 80' ' ' VAL . 52.0 t -53.3 -58.2 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.549 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.61 -41.04 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.6 -51.99 55.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.579 HG21 HG13 ' A' ' 88' ' ' ILE . 3.1 m -57.13 -45.58 83.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.619 HG13 HG21 ' A' ' 87' ' ' THR . 53.4 mt -53.67 -51.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.38 -53.2 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.29 -52.11 66.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.516 HG21 HG21 ' A' ' 91' ' ' ILE . 1.4 mp -55.62 -48.54 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.19 -28.72 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -72.93 -36.66 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.92 -38.16 95.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.5 mm -65.5 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -74.91 -33.05 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 62.87 27.65 16.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.2 m -151.79 156.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -78.03 176.5 9.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.51 -177.13 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.96 38.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.79 175.11 14.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -176.07 82.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.12 175.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.0 150.87 45.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -135.9 72.66 61.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.758 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.12 17.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' OE1' HD12 ' A' ' 75' ' ' LEU . 27.9 mm-40 -80.32 24.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.44 -57.68 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -49.91 -43.6 49.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.011 HD22 HD11 ' B' ' 76' ' ' ILE . 34.8 mt -56.32 -50.37 71.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.695 HD11 HD22 ' B' ' 75' ' ' LEU . 50.4 mm -56.07 -45.69 80.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.56 -49.89 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.71 -48.8 72.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.691 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.69 -54.77 32.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.706 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.4 t -61.69 -34.08 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.54 -47.03 77.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.08 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.554 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.62 -51.68 54.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 80' ' ' VAL . 48.1 t -53.68 -57.92 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.329 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.665 ' HA ' HD12 ' A' ' 88' ' ' ILE . 40.1 mm -55.71 -40.92 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.67 -52.32 53.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.699 HG21 HG13 ' B' ' 88' ' ' ILE . 3.2 m -57.15 -44.44 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.149 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.672 HG13 HG21 ' B' ' 87' ' ' THR . 39.1 mt -54.42 -51.49 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 mt -56.48 -53.06 61.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.9 mt -57.39 -51.26 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.833 HG21 HG21 ' B' ' 91' ' ' ILE . 24.5 mm -54.89 -49.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -55.11 -29.52 57.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -73.03 -36.85 67.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.02 93.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 52.4 mt -65.56 -32.09 56.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.457 ' HD3' HD22 ' A' ' 98' ' ' LEU . 19.3 mtt-85 -75.0 -38.47 61.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 58.62 26.3 14.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.457 HD22 ' HD3' ' A' ' 96' ' ' ARG . 5.0 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.02 148.47 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -79.5 175.42 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 65.5 mt -153.38 130.39 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.68 32.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 46.5 84.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -175.83 71.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.47 168.07 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -168.91 -167.36 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -156.97 68.19 4.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -11.38 30.7 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.622 2.215 . . . . 0.0 112.366 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -51.71 -60.38 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.47 -54.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 62.7 m -48.46 -48.3 37.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 76' ' ' ILE . 97.3 mt -55.79 -48.28 75.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 1.011 HD11 HD22 ' A' ' 75' ' ' LEU . 34.2 mm -56.34 -46.67 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.552 HG22 ' SD ' ' B' ' 81' ' ' MET . 19.9 mt -63.83 -50.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -54.27 -47.75 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.706 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.69 -54.18 38.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.2 t -61.92 -34.27 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.552 ' SD ' HG22 ' B' ' 77' ' ' ILE . 75.4 mtp -65.42 -46.66 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.9 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.562 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.93 -52.08 50.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 80' ' ' VAL . 53.7 t -53.28 -58.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.645 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.47 -41.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.49 -52.04 55.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.672 HG21 HG13 ' A' ' 88' ' ' ILE . 3.0 m -57.17 -44.79 83.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.137 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.699 HG13 HG21 ' A' ' 87' ' ' THR . 40.4 mt -54.22 -51.44 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.45 -53.1 61.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.48 -51.4 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.833 HG21 HG21 ' A' ' 91' ' ' ILE . 25.4 mm -54.92 -48.84 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.2 m -55.24 -29.12 57.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -72.95 -37.28 67.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -36.99 93.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 mm -65.48 -31.78 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -42.71 56.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 52.48 29.39 6.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 98' ' ' LEU . 10.2 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.31 123.83 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.43 157.59 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 8.0 mt 53.48 -170.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.29 31.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -170.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -174.52 35.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -62.13 171.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.25 134.72 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.84 67.65 80.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -6.55 18.87 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.32 24.81 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.03 -57.64 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.7 m -50.01 -44.31 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.015 HD22 HD11 ' B' ' 76' ' ' ILE . 32.6 mt -56.08 -49.86 72.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.716 HD11 HD22 ' B' ' 75' ' ' LEU . 50.2 mm -56.05 -46.37 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.3 mt -63.26 -50.01 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -54.58 -48.51 72.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.709 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.78 -54.63 33.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.721 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.7 t -61.77 -34.46 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.1 mmt -65.68 -46.63 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -45.79 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.593 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.83 -52.04 53.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 80' ' ' VAL . 51.3 t -53.52 -57.3 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' A' ' 88' ' ' ILE . 59.8 mt -55.71 -41.68 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.44 -52.09 54.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.437 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.843 HG22 HD11 ' A' ' 91' ' ' ILE . 2.1 m -56.91 -44.21 82.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.302 . . . . 0.0 111.13 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 85' ' ' ILE . 38.1 mt -54.98 -51.16 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 mt -56.61 -53.45 57.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.46 -50.17 73.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.843 HD11 HG22 ' A' ' 87' ' ' THR . 43.2 mt -54.74 -46.36 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 t -55.32 -34.69 64.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -70.81 -36.53 73.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.37 -36.48 92.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.48 -31.41 53.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -43.21 56.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 61.62 76.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 46.4 t 52.38 89.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -81.35 175.3 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 65.7 mt -153.37 133.34 13.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.06 92.29 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 26.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -179.93 160.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.48 167.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.21 132.29 41.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -173.78 65.65 0.31 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -75.1 -49.75 18.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.6 mm -48.75 -54.13 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 54.4 m -48.76 -47.75 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 76' ' ' ILE . 97.2 mt -56.02 -48.98 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 1.015 HD11 HD22 ' A' ' 75' ' ' LEU . 33.7 mm -56.48 -45.76 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -63.98 -49.96 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -54.47 -48.69 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.721 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.96 -54.94 31.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.507 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.3 t -61.47 -34.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 9.9 mmt -65.61 -47.2 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.11 83.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.592 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.54 -52.2 50.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 80' ' ' VAL . 50.6 t -53.06 -57.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.549 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.8 mm -55.66 -42.2 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -51.24 59.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.63 HG21 HG13 ' A' ' 88' ' ' ILE . 2.0 m -57.32 -47.28 81.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 111.158 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.674 HG13 HG21 ' A' ' 87' ' ' THR . 45.7 mt -52.44 -50.76 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.34 -53.02 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 87' ' ' THR . 7.3 mt -57.3 -52.79 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.726 HG21 HG21 ' A' ' 91' ' ' ILE . 1.6 mp -55.94 -48.92 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.4 p -55.34 -31.43 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.21 -36.44 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.25 93.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.5 -31.64 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -74.99 -42.66 57.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 53.08 28.64 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 36.9 t -122.98 88.57 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 62.67 149.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -164.55 177.92 7.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 71.91 59.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -155.1 30.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -175.59 114.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.34 166.91 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.9 t -168.02 -169.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.475 ' CB ' ' CD ' ' A' ' 71' ' ' PRO . 0.8 OUTLIER -76.31 -61.79 0.77 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.624 0.726 . . . . 0.0 110.874 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 70' ' ' GLU . 53.7 Cg_endo -69.77 99.55 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -164.8 -49.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.7 mt -52.58 -49.74 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.9 m -50.09 -50.93 46.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.7 HD22 HD11 ' B' ' 76' ' ' ILE . 89.4 mt -55.59 -50.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.518 HG12 HD23 ' B' ' 75' ' ' LEU . 29.3 mm -56.51 -45.38 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mm -63.48 -49.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -54.25 -47.78 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.596 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.74 -53.6 42.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.537 HG22 ' O ' ' B' ' 79' ' ' GLY . 45.2 t -62.61 -34.11 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 26.1 mmt -66.05 -47.43 74.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.58 84.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.484 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -63.03 -52.08 50.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 80' ' ' VAL . 46.5 t -53.44 -57.82 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.646 ' HA ' HD12 ' A' ' 88' ' ' ILE . 40.9 mm -55.52 -41.45 63.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.39 -53.44 46.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.673 HG21 HG13 ' B' ' 88' ' ' ILE . 3.0 m -55.04 -43.25 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.731 0.3 . . . . 0.0 111.158 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 85' ' ' ILE . 33.7 mt -56.94 -47.92 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.9 mt -58.02 -55.57 33.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.91 -50.8 72.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.738 HG21 HG21 ' B' ' 91' ' ' ILE . 23.5 mm -56.26 -49.72 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.6 p -55.18 -30.01 59.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -73.01 -37.19 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.72 -36.21 92.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.43 -30.99 51.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -43.47 53.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 53.63 27.85 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t 63.64 106.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -81.86 175.38 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.4 mt -153.45 112.42 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.96 93.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.34 95.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.53 35.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.38 170.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -56.78 174.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -123.53 74.85 53.67 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.659 0.742 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 123.91 10.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.388 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -174.53 -60.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 mp -48.0 -51.3 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 92.0 m -49.35 -49.59 43.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 76' ' ' ILE . 6.4 mp -55.89 -49.22 74.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.7 HD11 HD22 ' A' ' 75' ' ' LEU . 38.8 mm -56.02 -45.97 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mm -65.12 -50.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -54.78 -49.33 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.537 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -54.91 -54.78 31.39 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.4 t -61.4 -35.44 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 14.5 mmt -66.1 -48.45 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.23 78.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.522 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -60.7 -50.89 62.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 80' ' ' VAL . 39.5 t -54.56 -58.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.663 ' HA ' HD12 ' B' ' 88' ' ' ILE . 63.4 mt -55.67 -40.13 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.57 52.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.64 HG21 HG13 ' A' ' 88' ' ' ILE . 3.2 m -57.07 -44.4 83.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.673 HG13 HG21 ' A' ' 87' ' ' THR . 38.6 mt -54.31 -51.77 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.3 mt -56.46 -53.14 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.28 -50.57 72.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.738 HG21 HG21 ' A' ' 91' ' ' ILE . 22.6 mm -54.79 -47.9 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.9 t -55.25 -30.42 60.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.85 -38.15 67.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.98 -34.7 90.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.06 -30.87 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -45.48 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.88 23.77 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' VAL . 32.4 ttp180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.516 ' O ' HG22 ' A' ' 62' ' ' VAL . 2.4 p 35.67 82.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.39 174.86 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.502 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 4.2 pp -158.87 -174.97 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.07 99.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 28.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.61 157.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.34 168.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.62 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 51.54 68.25 3.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.643 0.735 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -34.84 13.72 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.726 ' CG ' HD12 ' A' ' 75' ' ' LEU . 1.1 mp0 -164.11 25.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.8 -58.72 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.2 m -49.18 -43.3 42.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.784 HD22 HD11 ' B' ' 76' ' ' ILE . 37.8 mt -56.53 -50.27 72.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.627 HD11 HD22 ' B' ' 75' ' ' LEU . 48.7 mm -56.04 -46.93 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.21 -49.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -54.84 -46.94 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.708 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.7 -54.74 34.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.725 HG22 ' O ' ' B' ' 79' ' ' GLY . 49.2 t -61.97 -35.04 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.9 mmt -66.0 -44.39 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.65 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.572 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.34 -52.62 50.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.9 t -53.66 -57.87 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.612 ' HA ' HD12 ' A' ' 88' ' ' ILE . 56.9 mt -55.62 -41.24 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.74 -51.72 57.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.6 m -57.2 -45.41 83.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.169 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 85' ' ' ILE . 41.0 mt -54.06 -50.9 51.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.55 -53.43 57.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.6 mt -57.39 -51.51 69.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 mm -54.77 -48.47 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.0 m -55.31 -30.49 60.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -72.61 -37.3 68.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.6 -36.2 92.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.44 -32.08 56.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -30.74 61.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 59.31 26.74 15.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.96 -176.25 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 62.58 149.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 50.0 mt 55.31 -176.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.6 77.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -64.57 -171.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.49 -63.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.0 143.78 36.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t 47.76 -164.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.492 ' CB ' ' CD ' ' B' ' 71' ' ' PRO . 0.2 OUTLIER -171.95 -62.29 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 110.882 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' B' ' 70' ' ' GLU . 54.4 Cg_endo -69.74 76.91 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -178.77 -60.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 mm -49.58 -51.74 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 78.9 m -49.43 -49.06 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.627 HD22 HD11 ' A' ' 76' ' ' ILE . 96.0 mt -56.06 -49.96 72.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.784 HD11 HD22 ' A' ' 75' ' ' LEU . 43.9 mm -56.23 -45.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mm -63.81 -50.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -54.5 -47.42 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.725 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.72 -55.11 31.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.0 t -61.68 -34.07 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.76 -45.5 82.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.55 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.569 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.88 -52.08 52.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 54.7 t -54.47 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 55.5 mt -55.72 -43.29 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.86 -51.5 56.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.841 HG22 HD11 ' B' ' 91' ' ' ILE . 1.9 m -57.08 -44.09 82.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 111.114 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 32.3 mm -55.19 -51.17 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.61 -53.54 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.9 mt -57.5 -50.08 74.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.841 HD11 HG22 ' B' ' 87' ' ' THR . 43.5 mt -54.7 -47.63 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.19 -29.62 58.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -72.58 -37.04 68.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.51 94.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.56 -31.8 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -75.0 -41.95 58.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 52.9 29.24 7.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 m -147.72 136.13 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.96 176.89 8.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.17 92.86 1.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.79 75.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 94.72 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -52.53 171.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.56 167.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 47.92 -165.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 73' ' ' ILE . 1.6 pm0 -162.42 67.56 1.96 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -22.94 31.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' CG ' HD12 ' A' ' 75' ' ' LEU . 4.3 mp0 -80.96 23.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -48.93 -54.97 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.0 m -53.17 -44.82 68.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.006 HD22 HD11 ' B' ' 76' ' ' ILE . 32.3 mt -56.51 -48.91 76.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.585 HD11 HD22 ' B' ' 75' ' ' LEU . 49.6 mm -56.34 -46.15 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.7 -50.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -54.43 -48.59 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.719 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.07 -55.34 29.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.71 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.1 t -61.0 -33.59 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.423 ' O ' HD13 ' A' ' 85' ' ' ILE . 4.4 mmt -65.16 -47.7 76.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.38 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.566 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.47 -51.64 52.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 80' ' ' VAL . 49.9 t -53.86 -60.23 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.669 ' HA ' HD12 ' A' ' 88' ' ' ILE . 1.6 mp -55.64 -38.13 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.28 -52.57 50.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.829 HG22 HD11 ' A' ' 91' ' ' ILE . 3.0 m -57.39 -43.04 83.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.707 0.289 . . . . 0.0 111.127 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.7 HG13 HG21 ' B' ' 87' ' ' THR . 38.1 mt -55.59 -51.71 55.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.7 -53.04 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.48 -49.59 75.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.829 HD11 HG22 ' A' ' 87' ' ' THR . 45.7 mt -54.58 -47.54 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -55.3 -29.75 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -72.42 -37.13 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.53 -37.48 94.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.3 mt -65.47 -31.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -40.76 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 55.94 25.98 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 m -134.48 124.07 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -74.85 157.99 34.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' B' ' 65' ' ' ALA . 1.4 pt? -163.99 177.55 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' B' ' 64' ' ' LEU . . . 72.02 101.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -155.13 120.85 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.52 115.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.65 168.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -74.57 -170.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.492 ' CB ' ' CD ' ' B' ' 71' ' ' PRO . 2.7 mt-10 -170.69 -62.44 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' B' ' 70' ' ' GLU . 54.2 Cg_endo -69.73 82.26 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.05 -40.09 60.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mt -49.54 -54.18 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 53.7 m -49.2 -46.73 46.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 76' ' ' ILE . 76.3 mt -56.4 -48.43 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 1.006 HD11 HD22 ' A' ' 75' ' ' LEU . 33.5 mm -56.2 -46.55 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.555 HG22 ' SD ' ' B' ' 81' ' ' MET . 16.4 mt -64.09 -50.13 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -54.3 -47.59 72.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.71 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.76 -54.48 36.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.8 t -61.67 -34.26 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.356 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.555 ' SD ' HG22 ' B' ' 77' ' ' ILE . 10.7 mtp -65.26 -46.4 80.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.03 82.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.558 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.06 -52.21 49.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.4 t -53.27 -57.99 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.64 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.56 -41.26 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.41 -52.01 55.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.7 HG21 HG13 ' A' ' 88' ' ' ILE . 2.9 m -57.16 -45.19 83.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.153 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.4 mt -53.87 -51.39 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.42 -53.21 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.43 -51.38 69.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.71 HG21 HG21 ' A' ' 91' ' ' ILE . 26.0 mm -55.25 -49.5 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m -55.16 -29.04 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -72.96 -36.58 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.15 -37.82 94.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.53 -32.12 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -39.34 61.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 57.4 27.76 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.7 t -106.56 76.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 62.61 148.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -163.28 41.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.2 88.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.75 32.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -175.93 106.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -58.93 139.05 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.89 174.79 8.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.553 ' H ' ' HD2' ' A' ' 71' ' ' PRO . 2.1 mt-10 -91.53 -62.93 0.19 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.553 ' HD2' ' H ' ' A' ' 70' ' ' GLU . 53.6 Cg_endo -69.76 2.32 3.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.55 ' OE1' HD13 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -78.8 20.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.6 mt -61.02 -60.38 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.7 m -48.94 -41.2 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 HD11 ' B' ' 76' ' ' ILE . 96.0 mt -57.38 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.54 HD11 HD22 ' B' ' 75' ' ' LEU . 44.6 mm -55.99 -44.54 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -62.86 -49.64 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.77 -47.56 73.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.67 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.61 -54.73 34.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.674 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.6 t -62.14 -34.01 61.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmm -65.84 -47.4 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -45.09 83.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.548 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.24 -51.33 57.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 80' ' ' VAL . 46.8 t -53.93 -57.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.674 ' HA ' HD12 ' A' ' 88' ' ' ILE . 39.8 mm -55.56 -41.39 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.2 53.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.523 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.706 HG21 HG13 ' B' ' 88' ' ' ILE . 3.3 m -57.21 -44.93 84.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 111.124 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.704 HG13 HG21 ' B' ' 87' ' ' THR . 37.6 mt -53.88 -51.49 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.44 -53.14 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.37 -51.27 70.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.903 HG21 HG21 ' B' ' 91' ' ' ILE . 25.3 mm -54.86 -48.15 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.5 t -55.26 -29.8 58.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -72.67 -37.58 67.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.13 92.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 68.4 mt -65.44 -31.85 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -42.95 57.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 54.15 27.32 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.3 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.03 127.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -74.92 155.27 37.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -163.46 169.07 19.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.17 33.31 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 138.78 44.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.62 36.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.92 -63.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -155.18 -176.83 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -137.31 73.54 50.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -172.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -165.13 -60.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.5 mt -49.98 -53.37 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 88.0 m -49.06 -47.76 44.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.55 HD13 ' OE1' ' A' ' 72' ' ' GLU . 95.6 mt -56.22 -50.14 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.412 ' O ' HG23 ' B' ' 80' ' ' VAL . 45.7 mm -56.03 -45.14 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -63.84 -50.23 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.46 -47.66 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.674 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.56 -54.49 35.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.7 t -62.21 -34.02 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.73 -46.75 77.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.21 -45.48 80.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.532 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.05 -51.58 55.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 49.9 t -54.02 -57.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.318 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.684 ' HA ' HD12 ' B' ' 88' ' ' ILE . 56.2 mt -55.54 -41.71 65.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.24 -52.16 54.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.842 HG22 HD11 ' B' ' 91' ' ' ILE . 2.4 m -57.06 -44.07 82.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.108 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.706 HG13 HG21 ' A' ' 87' ' ' THR . 36.2 mt -54.84 -51.37 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.61 -53.51 56.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.34 -49.83 74.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.903 HG21 HG21 ' A' ' 91' ' ' ILE . 42.9 mt -54.69 -48.97 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.8 t -55.21 -28.67 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -73.15 -36.95 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.47 94.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.57 -31.68 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -74.14 -26.89 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 63.16 27.39 15.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.84 150.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 62.58 148.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -165.08 152.09 10.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.2 29.31 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.31 163.42 27.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -51.2 103.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -54.4 133.73 45.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -168.34 -176.66 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 73' ' ' ILE . 25.0 mt-10 -157.37 66.81 3.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.675 0.75 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -31.32 20.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.738 2.292 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.94 23.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -45.34 -52.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.1 m -55.5 -45.82 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.92 HD22 HD11 ' B' ' 76' ' ' ILE . 31.1 mt -56.45 -47.62 78.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 80' ' ' VAL . 43.3 mm -56.63 -46.84 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.1 mt -63.62 -49.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.58 -48.36 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.706 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.98 -54.78 32.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.712 HG22 ' O ' ' B' ' 79' ' ' GLY . 45.8 t -61.62 -34.47 62.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.4 mmm -65.57 -46.43 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.41 81.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.609 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -62.63 -52.3 49.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.537 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.53 HG13 ' OG1' ' B' ' 87' ' ' THR . 54.6 t -53.18 -58.45 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.652 ' HA ' HD12 ' A' ' 88' ' ' ILE . 40.4 mm -55.42 -41.13 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.98 -53.15 48.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.714 HG22 ' CD1' ' A' ' 91' ' ' ILE . 1.7 m -55.28 -42.45 73.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 111.148 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 85' ' ' ILE . 34.4 mt -57.54 -48.63 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.78 -55.18 38.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mp -57.98 -50.14 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.714 ' CD1' HG22 ' A' ' 87' ' ' THR . 81.2 mt -56.73 -47.97 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.9 t -55.13 -29.78 58.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -72.44 -36.95 68.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.65 -37.92 95.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.48 -31.86 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -73.99 -27.2 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.95 25.47 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 5.8 m -143.2 72.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.96 176.47 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.73 42.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.423 ' HB2' HD23 ' A' ' 64' ' ' LEU . . . -156.98 90.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.069 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.81 96.46 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.57 104.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -53.91 52.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.5 t 71.54 -166.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -155.37 68.08 5.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 143.38 50.85 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -173.74 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.5 mm -49.66 -53.15 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.7 m -49.29 -47.76 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.415 HD22 HD11 ' A' ' 76' ' ' ILE . 40.8 mt -56.27 -49.08 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.92 HD11 HD22 ' A' ' 75' ' ' LEU . 32.1 mm -56.29 -45.64 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.15 -50.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -54.44 -48.83 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.71 -54.89 31.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.2 t -61.73 -34.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.3 mmt -65.74 -46.39 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.5 81.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.618 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.38 -52.3 50.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.2 t -53.37 -58.34 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.59 -40.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.3 -52.36 53.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.748 HG22 HD11 ' B' ' 91' ' ' ILE . 2.7 m -56.99 -43.37 81.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 85' ' ' ILE . 33.9 mt -55.54 -51.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 48.4 mt -56.54 -53.15 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.0 mt -57.53 -50.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.748 HD11 HG22 ' B' ' 87' ' ' THR . 62.1 mt -54.95 -48.43 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t -55.29 -28.38 53.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -73.11 -37.09 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.49 94.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.39 -31.47 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 0.0 111.076 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -42.53 57.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 53.77 28.0 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.832 0.349 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 m -76.75 -177.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -74.55 156.83 36.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 65.2 mt -153.43 -175.44 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.14 101.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -64.69 -178.24 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.41 148.92 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.78 168.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 47.84 -164.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HB3' HD12 ' A' ' 73' ' ' ILE . 21.1 mt-10 51.26 69.37 2.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -38.85 7.26 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.42 -53.78 51.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 70' ' ' GLU . 65.7 mt -49.54 -52.58 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 88.5 m -49.79 -47.84 50.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.647 HD22 HD11 ' B' ' 76' ' ' ILE . 62.6 mt -56.23 -48.43 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.648 HD11 HD22 ' B' ' 75' ' ' LEU . 43.9 mm -55.77 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.12 -50.66 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.34 -48.91 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.751 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.73 -56.07 25.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.752 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.7 t -60.37 -33.75 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.078 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmt -65.17 -45.02 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.36 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.606 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -62.91 -52.45 48.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 80' ' ' VAL . 53.7 t -54.04 -57.25 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.542 ' HA ' HD12 ' A' ' 88' ' ' ILE . 55.3 mt -55.52 -41.43 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.33 -51.98 55.38 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -57.08 -45.15 83.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 111.175 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 85' ' ' ILE . 54.9 mt -54.12 -51.1 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -56.5 -53.31 58.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.1 mt -57.31 -51.29 69.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.95 -47.17 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.6 t -55.22 -29.83 58.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.01 -36.97 69.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.6 -37.97 95.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.59 -31.66 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -68.97 -27.79 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 7.0 ttt180 76.97 -44.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.6 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 t -145.29 73.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -83.32 150.05 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -161.86 150.19 15.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.32 -79.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 46.28 84.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -176.39 -52.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.46 168.29 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.9 t 71.67 -165.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -130.35 69.37 82.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -37.35 9.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.01 -56.24 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 51.4 mm -49.37 -52.24 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m -49.82 -48.2 50.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.648 HD22 HD11 ' A' ' 76' ' ' ILE . 63.4 mt -56.19 -48.42 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.647 HD11 HD22 ' A' ' 75' ' ' LEU . 44.1 mm -55.84 -46.07 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.12 -50.64 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -54.47 -48.92 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.752 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.66 -56.12 25.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.0 t -60.24 -33.76 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 111.089 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 8.0 mmt -65.28 -45.24 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.99 78.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.573 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.07 -52.73 45.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 54.6 t -53.36 -58.24 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 111.189 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' B' ' 88' ' ' ILE . 38.2 mm -55.42 -40.64 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.89 -52.18 54.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.519 HG22 HD13 ' B' ' 91' ' ' ILE . 3.0 m -57.22 -44.82 84.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' B' ' 85' ' ' ILE . 55.3 mt -54.13 -51.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.6 -52.86 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.4 -51.76 68.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.519 HD13 HG22 ' B' ' 87' ' ' THR . 1.4 mp -54.81 -47.88 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.24 -28.44 53.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -72.72 -37.08 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.15 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.21 -31.32 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -43.91 49.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.54 27.96 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -84.77 65.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.93 155.23 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.28 38.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.87 57.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.81 94.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -54.42 175.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -169.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.77 -42.9 62.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 50.82 75.03 0.7 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.663 0.744 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.05 20.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.713 2.276 . . . . 0.0 112.351 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' CG ' HD12 ' A' ' 75' ' ' LEU . 1.8 mp0 -80.61 24.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.23 -56.67 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -51.13 -45.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.965 HD22 HD11 ' B' ' 76' ' ' ILE . 33.4 mt -56.13 -49.39 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 HD22 ' B' ' 75' ' ' LEU . 51.6 mm -56.11 -46.49 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.3 mt -63.71 -50.02 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.44 -47.95 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.744 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.36 -56.22 25.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.754 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.9 t -60.56 -33.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.3 mmt -65.69 -44.06 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.19 77.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.546 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.92 -53.29 38.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 80' ' ' VAL . 64.2 t -53.97 -58.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.6 mm -54.98 -40.17 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.25 -51.95 56.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.841 HG22 HD11 ' A' ' 91' ' ' ILE . 2.7 m -57.36 -44.55 84.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.814 0.34 . . . . 0.0 111.152 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mm -54.49 -51.35 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.7 mt -56.58 -53.4 58.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.38 -49.65 75.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.841 HD11 HG22 ' A' ' 87' ' ' THR . 42.2 mt -54.62 -47.95 71.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 p -55.32 -28.56 54.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -72.76 -37.23 67.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.962 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.88 95.05 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.43 -31.74 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -74.59 -27.38 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 60.1 28.82 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 62' ' ' VAL . 4.6 m -53.97 101.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.99 162.44 19.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.2 mt 55.26 -176.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.9 -80.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.81 41.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -176.18 93.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.58 169.32 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -167.28 -167.76 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.53 72.99 1.59 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.656 0.741 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 179.2 3.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -165.79 -57.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 56.4 mt -49.62 -52.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 87.1 m -49.96 -47.8 52.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.646 HD22 HD11 ' A' ' 76' ' ' ILE . 93.6 mt -56.25 -48.73 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.965 HD11 HD22 ' A' ' 75' ' ' LEU . 37.2 mm -55.94 -46.45 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.29 -50.0 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -54.67 -47.39 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.754 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.87 -55.95 27.44 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.45 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 79' ' ' GLY . 58.7 t -60.67 -33.89 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.071 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.469 ' O ' HD13 ' B' ' 85' ' ' ILE . 14.8 mmt -65.64 -44.92 84.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.09 83.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.551 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -64.41 -53.25 36.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 80' ' ' VAL . 64.3 t -53.46 -59.7 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 111.18 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.469 HD13 ' O ' ' B' ' 81' ' ' MET . 1.5 mp -55.21 -39.24 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.67 -52.04 55.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.493 HG22 HD13 ' B' ' 91' ' ' ILE . 4.2 m -57.7 -44.29 85.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 35.6 mm -54.36 -51.71 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.43 -52.69 63.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.5 -51.69 68.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.493 HD13 HG22 ' B' ' 87' ' ' THR . 1.4 mp -55.92 -48.14 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -72.55 -36.78 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.81 -38.12 95.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.38 -33.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -74.8 -29.69 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 62.8 28.08 16.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER 63.78 157.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 62.7 148.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 1.1 pp -158.03 41.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.15 101.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.68 111.69 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.51 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.51 172.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.7 t -61.77 -167.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 4.0 pt-20 -54.08 158.35 3.69 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.684 0.754 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 70' ' ' GLU . 53.4 Cg_endo -69.79 153.89 68.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -176.26 -57.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -50.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.6 m -50.28 -50.51 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 HD11 ' B' ' 76' ' ' ILE . 62.2 mt -55.78 -47.7 76.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.56 HD11 HD22 ' B' ' 75' ' ' LEU . 41.1 mm -56.49 -45.84 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.9 mt -64.85 -50.49 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -54.47 -49.37 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.725 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.18 -55.47 28.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.724 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.2 t -60.8 -34.84 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.5 mmt -65.94 -44.02 86.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.78 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.601 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.04 -53.5 39.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 80' ' ' VAL . 70.1 t -54.03 -59.54 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.606 ' HA ' HD12 ' A' ' 88' ' ' ILE . 39.5 mm -55.54 -38.01 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.42 -52.16 53.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.624 HG22 ' CD1' ' A' ' 91' ' ' ILE . 9.7 m -57.4 -43.82 84.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.317 . . . . 0.0 111.167 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 85' ' ' ILE . 42.5 mt -55.45 -52.28 48.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -56.42 -52.58 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.29 -50.92 71.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.624 ' CD1' HG22 ' A' ' 87' ' ' THR . 87.5 mt -55.65 -47.51 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.9 m -55.25 -31.19 61.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -37.49 69.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.46 -35.64 92.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.56 -31.44 53.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 111.103 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -42.1 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 52.75 29.35 7.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 20.1 ptt85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.918 0.39 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -118.78 87.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.99 175.1 9.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 26.8 mt 54.88 80.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.42 88.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t60 46.6 84.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.59 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -48.19 80.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -69.17 163.53 24.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -117.58 68.79 5.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -170.94 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.296 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -164.93 -64.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.9 mt -49.83 -52.07 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 86.4 m -49.81 -48.3 50.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.56 HD22 HD11 ' A' ' 76' ' ' ILE . 32.0 mt -56.18 -48.66 75.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.711 HD11 HD22 ' A' ' 75' ' ' LEU . 43.9 mm -55.91 -45.57 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -65.12 -51.1 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -54.19 -47.88 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.724 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.09 -54.95 31.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 79' ' ' GLY . 52.9 t -61.07 -35.14 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.2 mtp -65.49 -44.76 86.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.34 77.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.599 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.72 -53.21 42.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 80' ' ' VAL . 55.3 t -52.86 -58.59 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 39.1 mm -55.36 -40.74 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.86 -51.96 56.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.653 HG22 ' CD1' ' B' ' 91' ' ' ILE . 3.2 m -57.33 -43.16 83.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 34.1 mm -55.69 -51.64 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.2 mt -56.62 -53.51 56.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.19 -50.9 71.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.653 ' CD1' HG22 ' B' ' 87' ' ' THR . 95.9 mt -57.55 -48.51 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.3 t -55.34 -30.66 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.27 -37.02 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.31 94.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.33 -32.29 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -43.55 52.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.43 26.99 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 28.0 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.9 m -152.63 157.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 62.51 149.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -165.11 140.28 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.63 58.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.98 171.24 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -51.16 142.86 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.82 150.52 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -154.82 -177.8 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -156.73 68.61 4.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.65 33.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.268 . . . . 0.0 112.37 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.691 ' OE1' HD12 ' B' ' 75' ' ' LEU . 3.7 mt-10 -78.33 48.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.57 -64.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.0 m -48.29 -39.96 23.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.754 HD22 HD11 ' B' ' 76' ' ' ILE . 27.6 mt -57.31 -52.86 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.66 HD11 HD22 ' B' ' 75' ' ' LEU . 42.3 mm -56.22 -45.45 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.72 -49.6 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -54.94 -47.1 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.68 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.68 -54.12 38.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.696 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.3 t -62.63 -34.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -47.15 75.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.16 79.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -60.97 -51.37 59.01 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.571 HG13 ' OG1' ' B' ' 87' ' ' THR . 47.4 t -53.98 -57.22 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.65 ' HA ' HD12 ' A' ' 88' ' ' ILE . 60.6 mt -55.74 -41.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.84 -52.17 53.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.655 HG21 HG13 ' B' ' 88' ' ' ILE . 3.0 m -57.07 -45.62 83.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.759 0.314 . . . . 0.0 111.13 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.674 HG13 HG21 ' B' ' 87' ' ' THR . 38.7 mt -53.41 -51.41 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.38 -53.01 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.23 -52.01 67.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.615 HG21 HG21 ' B' ' 91' ' ' ILE . 1.4 mp -55.6 -49.21 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -55.32 -30.51 60.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -36.19 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.33 -37.31 93.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.59 -32.17 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -41.59 58.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.814 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? 63.21 29.47 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 98' ' ' LEU . 2.5 tt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.09 101.18 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 62.66 149.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mt 54.69 89.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.69 39.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 136.11 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -51.57 111.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -65.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -65.68 -166.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' B' ' 71' ' ' PRO . 5.1 tt0 -179.36 -59.28 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' B' ' 70' ' ' GLU . 53.6 Cg_endo -69.78 72.51 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.76 -55.11 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mt -50.19 -52.21 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -47.98 -50.3 27.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.691 HD12 ' OE1' ' A' ' 72' ' ' GLU . 63.6 mt -56.0 -50.0 72.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 75' ' ' LEU . 48.2 mm -56.18 -45.15 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.52 -49.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -54.44 -46.93 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.696 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.06 -54.06 39.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.0 t -62.53 -34.43 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmt -65.93 -46.71 77.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.02 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.574 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.47 -51.54 57.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.604 HG13 ' OG1' ' A' ' 87' ' ' THR . 49.1 t -53.92 -56.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' B' ' 88' ' ' ILE . 57.7 mt -55.71 -42.06 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.0 -52.12 54.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.85 HG22 HD11 ' B' ' 91' ' ' ILE . 2.1 m -56.93 -44.15 82.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.2 mt -54.99 -51.2 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -56.57 -53.41 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.0 mt -57.46 -50.16 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.85 HD11 HG22 ' B' ' 87' ' ' THR . 41.8 mt -54.65 -48.05 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 5.1 p -55.12 -29.18 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.36 -37.83 68.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.0 -36.76 93.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.2 mt -65.5 -32.09 56.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -74.94 -39.77 61.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 56.87 26.38 11.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.2 149.28 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.71 149.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 64' ' ' LEU . 4.3 pp -164.65 161.24 20.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.2 37.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.33 25.61 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.91 35.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -58.8 136.86 57.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 m -167.14 -176.59 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -163.96 67.38 1.51 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -23.83 30.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.676 ' HB3' HD12 ' A' ' 75' ' ' LEU . 3.1 mm-40 -78.25 49.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.55 -63.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.6 m -48.66 -39.56 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 25.6 mt -57.4 -53.46 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.675 HD11 HD22 ' B' ' 75' ' ' LEU . 43.9 mm -56.07 -44.63 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.76 -49.46 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.22 -47.94 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.685 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.04 -54.17 37.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.695 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.4 t -62.64 -34.65 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.126 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.5 mmt -65.93 -47.12 75.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.02 -45.62 80.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.572 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.77 -51.32 58.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 80' ' ' VAL . 47.8 t -53.99 -57.98 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.66 ' HA ' HD12 ' A' ' 88' ' ' ILE . 40.2 mm -55.59 -40.93 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.75 -52.23 54.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.436 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.691 HG21 HG13 ' B' ' 88' ' ' ILE . 3.2 m -57.14 -44.49 83.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.133 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 85' ' ' ILE . 39.2 mt -54.42 -51.49 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.48 -53.14 60.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.36 -51.24 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.757 HG21 HG21 ' B' ' 91' ' ' ILE . 25.3 mm -55.56 -46.7 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.34 -34.48 64.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -70.69 -35.96 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.5 -37.32 93.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.436 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.5 mm -65.59 -31.6 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 111.061 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 97' ' ' ARG . 1.0 OUTLIER -72.42 -40.67 66.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.4 tpt180 76.92 -44.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.917 0.389 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 12.6 p -151.31 143.97 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 62.56 149.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.16 80.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.88 59.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 40.5 t60 46.54 84.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -51.22 113.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.05 168.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.23 160.3 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -119.35 74.08 15.32 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.621 0.725 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 78.14 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -75.06 -42.54 56.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mt -50.35 -54.26 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 59.1 m -49.3 -46.79 47.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.675 HD22 HD11 ' A' ' 76' ' ' ILE . 84.4 mt -56.21 -49.44 74.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 35.8 mm -55.89 -46.59 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' B' ' 81' ' ' MET . 25.7 mt -63.13 -49.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.35 -46.93 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.695 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.15 -53.66 42.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.6 t -62.65 -34.51 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . 0.53 ' SD ' HG22 ' B' ' 77' ' ' ILE . 88.0 mtp -65.75 -46.62 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.1 82.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.541 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.67 -51.81 53.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.553 HG13 ' OG1' ' A' ' 87' ' ' THR . 52.3 t -53.53 -57.89 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.658 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.7 mm -55.45 -41.43 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.22 54.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.84 HG22 HD11 ' B' ' 91' ' ' ILE . 2.3 m -57.08 -43.84 82.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.691 HG13 HG21 ' A' ' 87' ' ' THR . 40.6 mt -55.05 -51.33 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.6 -53.32 58.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.5 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.84 HD11 HG22 ' B' ' 87' ' ' THR . 44.0 mt -54.63 -48.29 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -55.01 -27.35 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -37.32 69.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.53 -42.4 98.92 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.534 HD12 ' O ' ' B' ' 91' ' ' ILE . 2.7 mp -65.6 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 111.153 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' B' ' 97' ' ' ARG . 0.0 OUTLIER -74.96 -38.78 61.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' B' ' 96' ' ' ARG . 8.4 ttm180 76.88 -44.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.91 149.66 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -75.81 165.61 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 2.0 pt? -153.63 -169.63 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.42 32.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 172.01 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.807 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -174.81 54.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.55 174.59 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.07 138.77 24.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -133.22 72.09 76.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -6.29 18.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -80.34 24.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mt -53.72 -57.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.8 m -50.01 -43.94 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.992 HD22 HD11 ' B' ' 76' ' ' ILE . 33.1 mt -56.22 -50.42 71.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.652 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -55.66 -46.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.508 HG22 ' SD ' ' A' ' 81' ' ' MET . 15.1 mt -63.02 -49.62 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.16 -48.09 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.673 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.0 -53.37 42.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.689 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.9 t -62.72 -35.19 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.127 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.508 ' SD ' HG22 ' A' ' 77' ' ' ILE . 7.5 mtt -65.9 -46.14 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.44 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.58 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.38 -52.22 52.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.582 HG13 ' OG1' ' B' ' 87' ' ' THR . 53.9 t -53.31 -57.8 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 88' ' ' ILE . 62.0 mt -55.44 -41.68 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.51 -52.32 53.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.693 HG22 ' CD1' ' A' ' 91' ' ' ILE . 2.3 m -56.77 -43.74 81.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 85' ' ' ILE . 36.6 mt -55.3 -51.48 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.45 -53.43 57.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.55 -50.57 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.693 ' CD1' HG22 ' A' ' 87' ' ' THR . 75.5 mt -57.01 -49.59 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.9 p -55.25 -29.79 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -72.97 -36.6 67.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.18 -36.97 93.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.5 mm -65.45 -31.85 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -42.49 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.97 77.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 98' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 24.6 t -92.14 68.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 62.6 149.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt 55.02 89.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.2 31.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -157.05 99.99 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.56 40.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.36 168.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.84 145.49 9.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 51.22 68.51 3.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.652 0.739 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -48.22 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.501 ' HG3' HD13 ' A' ' 75' ' ' LEU . 18.4 tt0 -67.56 -47.68 69.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.4 mm -49.9 -51.44 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 33.4 m -49.42 -49.23 45.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 76' ' ' ILE . 96.3 mt -56.28 -49.94 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 75' ' ' LEU . 33.0 mm -56.49 -44.51 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.55 -49.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.2 -48.82 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.689 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.63 -54.2 36.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.0 t -62.39 -34.41 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 46.8 mmm -65.61 -47.03 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.09 82.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.43 -52.09 51.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 80' ' ' VAL . 50.9 t -53.43 -58.21 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.671 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.8 mm -55.61 -40.91 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.07 -52.18 54.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.716 HG22 ' CD1' ' B' ' 91' ' ' ILE . 2.5 m -57.18 -43.4 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.68 0.276 . . . . 0.0 111.089 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.5 mt -55.63 -51.17 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 22.2 mt -56.76 -53.25 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.76 -50.31 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.716 ' CD1' HG22 ' B' ' 87' ' ' THR . 72.2 mt -56.91 -48.96 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t -55.27 -30.25 59.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -72.57 -36.94 68.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.84 -36.48 93.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mm -65.27 -30.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' B' ' 97' ' ' ARG . 0.0 OUTLIER -74.66 -44.17 51.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' B' ' 96' ' ' ARG . 0.8 OUTLIER 76.8 -44.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.4 t 63.38 77.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -85.06 170.45 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -163.17 168.91 20.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 46.69 35.73 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.29 99.58 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -176.01 77.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -59.36 149.92 27.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 m 48.29 -168.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -130.76 67.57 80.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 4.62 2.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.624 ' CG ' HD12 ' A' ' 75' ' ' LEU . 35.2 mm-40 -158.38 59.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.62 -65.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.7 m -43.73 -43.48 6.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.874 HD22 HD11 ' B' ' 76' ' ' ILE . 16.5 mt -56.78 -54.15 49.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.658 HD11 HD22 ' B' ' 75' ' ' LEU . 42.5 mm -55.58 -43.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.1 mm -63.65 -49.8 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -54.91 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.664 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.56 -54.86 33.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.675 HG22 ' O ' ' B' ' 79' ' ' GLY . 48.4 t -62.06 -34.38 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mmm -66.1 -45.77 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.64 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.531 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.32 -51.8 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 80' ' ' VAL . 55.0 t -54.33 -55.45 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.0 mt -55.7 -43.88 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.11 -51.32 56.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.44 HG21 HG13 ' B' ' 88' ' ' ILE . 2.2 m -57.18 -45.35 83.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.154 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.9 mm -53.92 -51.09 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.0 mt -56.51 -53.26 59.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.47 -51.24 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.446 HG21 HG21 ' B' ' 91' ' ' ILE . 25.1 mm -54.78 -48.5 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.4 m -55.27 -31.05 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -72.54 -37.02 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.89 -36.11 92.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.48 -32.4 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -75.08 -32.08 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 56.7 28.92 14.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 5.6 m -144.8 161.86 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -75.0 161.6 29.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 68.8 mt 55.11 -176.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.7 57.68 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 46.79 84.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.0 166.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -37.22 85.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t 48.17 -165.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 53.13 68.5 2.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.738 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 100.63 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -52.0 -57.72 8.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt -49.59 -54.12 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 96.5 m -49.23 -47.21 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.658 HD22 HD11 ' A' ' 76' ' ' ILE . 89.3 mt -55.94 -49.45 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.874 HD11 HD22 ' A' ' 75' ' ' LEU . 42.3 mm -55.83 -46.77 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.07 -49.93 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.78 -47.34 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.675 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.4 -54.18 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.7 t -62.27 -35.03 67.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.98 -45.12 82.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.93 75.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.512 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -61.62 -52.55 50.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 80' ' ' VAL . 56.1 t -53.01 -58.71 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' B' ' 88' ' ' ILE . 39.9 mm -55.56 -41.27 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.87 -51.63 58.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -57.25 -44.9 84.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 111.16 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 85' ' ' ILE . 40.3 mt -54.39 -51.02 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.51 -53.39 58.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 66.7 mt -57.45 -51.6 68.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.446 HG21 HG21 ' A' ' 91' ' ' ILE . 25.5 mm -54.96 -47.97 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -55.42 -32.6 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -71.94 -36.36 69.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.53 -37.36 93.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.8 mm -65.46 -31.3 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -27.06 60.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 76.83 -44.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.4 m -81.0 150.3 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -84.19 148.44 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 2.1 pt? -162.68 -171.46 2.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.06 102.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -76.21 60.16 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -175.29 67.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.3 168.55 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.6 t -162.79 -167.47 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -157.94 68.28 3.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.44 18.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -80.45 24.87 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.1 mt -53.6 -57.45 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.8 m -50.0 -44.18 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.996 HD22 HD11 ' B' ' 76' ' ' ILE . 32.7 mt -56.09 -50.06 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.666 HD11 HD22 ' B' ' 75' ' ' LEU . 50.3 mm -55.97 -46.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.35 -50.05 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -54.63 -48.53 72.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.704 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.84 -55.0 31.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.704 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.0 t -61.45 -34.16 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.347 . . . . 0.0 111.2 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 mmt -65.43 -46.3 80.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.84 78.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.587 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -61.98 -51.86 54.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 80' ' ' VAL . 51.1 t -53.69 -57.13 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.663 ' HA ' HD12 ' A' ' 88' ' ' ILE . 56.9 mt -55.59 -42.09 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.83 -51.99 54.82 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.629 HG21 HG13 ' B' ' 88' ' ' ILE . 2.6 m -57.03 -44.99 83.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 85' ' ' ILE . 37.6 mt -54.15 -51.21 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.9 mt -56.5 -53.38 58.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.8 mt -57.4 -51.41 69.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.939 HG21 HG21 ' B' ' 91' ' ' ILE . 26.6 mm -55.96 -48.18 78.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -55.04 -27.47 44.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -72.34 -36.37 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.15 97.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 91' ' ' ILE . 3.2 mp -65.7 -37.51 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.34 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -73.08 -37.38 66.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.67 25.54 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.558 ' O ' HG22 ' B' ' 62' ' ' VAL . 28.6 mmm-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.558 HG22 ' O ' ' B' ' 61' ' ' ARG . 11.5 m 43.64 -165.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 62.59 148.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.415 HD23 ' N ' ' B' ' 64' ' ' LEU . 1.1 pt? -164.68 133.8 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.09 -80.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -67.02 105.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.67 93.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.48 170.65 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.39 137.33 52.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -138.93 73.73 38.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 78.4 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.412 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.29 -46.65 87.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.0 mm -49.65 -53.75 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -49.42 -47.08 48.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 76' ' ' ILE . 96.7 mt -56.35 -49.0 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.996 HD11 HD22 ' A' ' 75' ' ' LEU . 34.3 mm -56.19 -45.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.28 -50.2 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -54.36 -48.35 71.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.704 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.12 -55.17 30.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 79' ' ' GLY . 47.2 t -61.43 -33.86 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 111.096 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.51 -46.44 79.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.31 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.556 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -62.46 -52.12 51.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 80' ' ' VAL . 52.8 t -53.51 -57.07 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.667 ' HA ' HD12 ' B' ' 88' ' ' ILE . 59.4 mt -55.69 -41.93 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.14 -52.1 54.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.497 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.849 HG22 HD11 ' B' ' 91' ' ' ILE . 2.1 m -56.93 -44.15 82.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' B' ' 85' ' ' ILE . 38.3 mt -54.94 -51.24 55.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.63 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.4 -49.98 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.939 HG21 HG21 ' A' ' 91' ' ' ILE . 41.1 mt -54.74 -47.96 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -55.29 -29.45 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -72.44 -37.06 68.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.59 -37.78 94.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.43 -31.16 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -73.55 -29.21 62.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.56 25.59 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' O ' HG12 ' A' ' 62' ' ' VAL . 16.5 mmt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER 63.73 157.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.146 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 62.61 149.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 3.8 pp -161.61 176.98 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 72.21 99.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -64.72 174.7 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -176.38 143.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.29 150.17 27.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.82 160.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -144.45 80.9 11.58 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -6.35 18.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' CB ' HD13 ' B' ' 75' ' ' LEU . 39.8 mp0 -80.21 24.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mt -53.44 -57.9 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.5 m -49.98 -43.84 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.01 HD22 HD11 ' B' ' 76' ' ' ILE . 33.8 mt -56.26 -50.28 71.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.639 HD11 HD22 ' B' ' 75' ' ' LEU . 50.7 mm -55.95 -45.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.7 mm -63.61 -50.13 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -54.57 -48.54 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.667 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -55.79 -54.58 34.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.695 HG22 ' O ' ' B' ' 79' ' ' GLY . 46.4 t -61.69 -34.75 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.17 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 32.8 mmm -65.71 -47.13 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.56 81.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.577 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.92 -51.93 53.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.598 HG13 ' OG1' ' B' ' 87' ' ' THR . 49.8 t -53.54 -58.53 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.675 ' HA ' HD12 ' A' ' 88' ' ' ILE . 41.2 mm -55.64 -40.33 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.62 -52.33 53.72 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.72 HG22 HD11 ' A' ' 91' ' ' ILE . 2.6 m -56.92 -43.59 81.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 111.177 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 85' ' ' ILE . 36.8 mt -55.46 -51.39 57.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.46 -53.36 58.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.972 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.54 -50.78 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.72 HD11 HG22 ' A' ' 87' ' ' THR . 69.7 mt -56.06 -48.35 79.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.9 m -55.24 -28.77 55.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.808 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -72.84 -37.26 67.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.44 -37.33 94.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.58 -31.62 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -37.29 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 56.77 29.29 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.5 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.623 HG22 ' O ' ' B' ' 62' ' ' VAL . 14.3 p 37.7 42.99 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.94 176.52 9.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.8 mt -153.41 124.47 7.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.62 93.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -69.0 114.39 7.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -51.31 104.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -60.72 -177.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t 71.54 -165.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -145.54 74.43 13.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 106.71 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -174.76 -58.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -49.65 -51.89 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 64.4 m -49.57 -48.74 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.639 HD22 HD11 ' A' ' 76' ' ' ILE . 96.3 mt -56.19 -49.08 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 1.01 HD11 HD22 ' A' ' 75' ' ' LEU . 33.9 mm -56.45 -45.36 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.27 -50.07 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -54.4 -48.89 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.695 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -55.73 -54.73 32.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 79' ' ' GLY . 45.8 t -61.73 -34.28 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.098 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 28.8 mmm -65.81 -47.01 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.43 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.611 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.13 -51.93 53.34 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.579 HG13 ' OG1' ' A' ' 87' ' ' THR . 50.6 t -53.65 -58.34 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.5 mm -55.63 -40.33 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.52 -52.33 53.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.712 HG22 ' CD1' ' B' ' 91' ' ' ILE . 2.8 m -57.06 -43.48 82.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 111.151 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' B' ' 85' ' ' ILE . 36.7 mt -55.44 -51.44 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.56 -53.35 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -57.45 -50.67 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.712 ' CD1' HG22 ' B' ' 87' ' ' THR . 73.8 mt -56.63 -49.29 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -55.15 -28.7 54.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.13 -37.06 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.74 -37.38 94.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 59.7 mt -65.55 -31.49 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -74.74 -27.46 60.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 62.58 28.86 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' B' ' 71' ' ' PRO . 6.8 p -160.74 123.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.14 176.76 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 pp -162.13 169.26 21.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 46.75 47.73 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -158.93 84.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.79 160.83 0.94 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -25.12 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 m -155.09 -177.07 6.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.01 73.3 18.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 77.52 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.644 2.23 . . . . 0.0 112.299 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.594 ' HB3' HD13 ' B' ' 75' ' ' LEU . 77.5 mm-40 -156.7 22.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.23 -53.03 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 87.7 m -48.68 -47.6 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.566 HD21 ' HG3' ' B' ' 72' ' ' GLU . 6.6 mp -57.9 -55.16 38.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.678 HD11 HD22 ' B' ' 75' ' ' LEU . 39.5 mm -56.56 -42.87 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mm -65.0 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -56.34 -46.9 79.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.581 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.77 -55.3 30.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.601 HG22 ' O ' ' B' ' 79' ' ' GLY . 57.1 t -62.79 -34.77 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.423 ' O ' HD13 ' A' ' 85' ' ' ILE . 8.1 mmt -67.32 -47.83 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.58 85.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.489 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -62.85 -51.55 54.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 80' ' ' VAL . 42.8 t -54.52 -60.62 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.163 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.423 HD13 ' O ' ' A' ' 81' ' ' MET . 1.6 mp -54.92 -38.21 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.16 -52.54 52.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.453 HG22 HD13 ' A' ' 91' ' ' ILE . 6.0 m -57.73 -43.74 85.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.5 mm -54.57 -52.08 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.42 -52.53 64.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 43.2 mt -57.4 -51.5 69.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.668 ' O ' HD12 ' A' ' 95' ' ' ILE . 1.4 mp -56.83 -48.74 80.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.8 t -54.78 -27.41 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -36.29 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.4 97.18 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 91' ' ' ILE . 3.6 mp -65.64 -37.16 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -75.04 -27.11 59.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 56.29 25.65 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 p -124.56 131.12 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -74.54 157.62 35.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.8 39.89 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.87 57.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -158.98 118.82 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -51.21 135.94 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.27 135.13 56.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.505 ' HB3' HG23 ' A' ' 62' ' ' VAL . 8.6 t -74.86 -167.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.2 75.6 2.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.614 ' HB3' HG21 ' A' ' 62' ' ' VAL . 53.5 Cg_endo -69.79 147.02 61.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.347 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.566 ' HG3' HD21 ' A' ' 75' ' ' LEU . 13.0 tt0 -173.24 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 2.8 mp -49.96 -51.14 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 42.0 m -50.06 -49.05 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.678 HD22 HD11 ' A' ' 76' ' ' ILE . 97.1 mt -56.02 -48.75 75.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 80' ' ' VAL . 35.3 mm -55.92 -47.25 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.5 mt -62.63 -49.84 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -54.37 -45.15 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.601 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -58.27 -51.35 59.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 79' ' ' GLY . 44.5 t -64.41 -35.56 74.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 79.4 mtp -66.41 -43.67 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.84 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.34 40.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 80' ' ' VAL . 65.4 t -53.88 -58.62 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 mm -54.91 -40.23 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.17 -51.92 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.859 HG22 HD11 ' B' ' 91' ' ' ILE . 2.7 m -57.45 -44.04 84.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 111.101 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 36.7 mm -54.91 -51.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 mt -56.63 -53.26 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.4 -49.71 75.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.859 HD11 HG22 ' B' ' 87' ' ' THR . 41.7 mt -54.69 -47.82 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 25.5 t -55.29 -29.03 57.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.81 -37.38 67.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.954 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.46 -36.69 93.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 mm -65.44 -32.02 56.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -75.07 -26.56 59.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.96 25.57 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.7 t -145.06 97.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.45 176.72 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 2.4 pt? -155.11 179.58 9.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 64' ' ' LEU . . . 71.96 31.33 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.11 166.47 31.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -176.3 80.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -176.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 t -69.24 -68.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 50.95 74.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 77.44 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -159.94 32.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.5 mt -48.0 -54.95 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.9 m -50.02 -48.16 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.858 HD22 HD11 ' B' ' 76' ' ' ILE . 14.4 mt -56.75 -49.05 76.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.588 HD11 HD22 ' B' ' 75' ' ' LEU . 51.8 mm -56.18 -45.41 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.67 -50.49 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.38 -47.89 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.724 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.36 -55.93 27.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.734 HG22 ' O ' ' B' ' 79' ' ' GLY . 49.0 t -60.64 -33.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 mmt -65.63 -44.78 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.93 79.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.58 ' HA3' HG13 ' B' ' 80' ' ' VAL . . . -63.66 -53.28 39.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.507 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 80' ' ' VAL . 58.8 t -53.51 -57.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.5 mm -54.86 -42.13 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.31 -53.36 46.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.551 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -54.93 -43.96 73.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.797 0.332 . . . . 0.0 111.159 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -56.21 -47.81 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.03 -55.19 38.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 90' ' ' LEU . 3.4 mm? -57.98 -50.9 71.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 mm -56.4 -47.7 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 64.6 m -55.34 -29.71 58.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -72.36 -37.0 68.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.66 -37.76 94.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.46 -30.95 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 111.107 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -73.97 -42.25 60.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 52.38 29.74 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.412 ' C ' HD22 ' A' ' 98' ' ' LEU . 1.2 tm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.848 0.356 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -125.18 102.16 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 148.5 39.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 81.6 mt -153.68 164.4 38.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.89 55.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.67 67.47 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -55.62 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -94.43 -39.57 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.8 m 48.23 -167.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.68 163.58 1.37 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.654 0.74 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 120.51 7.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -53.95 -27.79 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm -49.28 -52.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 84.2 m -49.71 -48.16 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.588 HD22 HD11 ' A' ' 76' ' ' ILE . 95.9 mt -56.21 -48.37 76.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.858 HD11 HD22 ' A' ' 75' ' ' LEU . 38.9 mm -56.04 -46.3 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -64.46 -50.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -54.5 -48.03 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.734 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -56.18 -55.76 27.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.427 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 79' ' ' GLY . 48.5 t -60.82 -34.17 58.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.75 -43.84 87.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.36 -46.49 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.563 ' HA3' HG13 ' A' ' 80' ' ' VAL . . . -63.54 -53.29 39.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 80' ' ' VAL . 66.8 t -53.97 -58.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.692 ' HA ' HD12 ' B' ' 88' ' ' ILE . 37.9 mm -55.44 -39.39 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.85 -52.6 51.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.452 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.842 HG22 HD11 ' B' ' 91' ' ' ILE . 3.2 m -57.35 -43.28 83.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.758 0.313 . . . . 0.0 111.157 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' B' ' 85' ' ' ILE . 37.7 mt -55.28 -51.88 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.63 -53.14 61.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.21 -49.33 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.842 HD11 HG22 ' B' ' 87' ' ' THR . 42.6 mt -54.59 -49.28 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 4.8 p -55.33 -31.19 61.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -36.28 67.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.02 93.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mm -65.42 -31.76 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.71 56.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 52.08 29.65 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 9.9 tt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.982 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.87 111.47 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.526 ' CD ' HG23 ' B' ' 74' ' ' THR . 3.5 mm-40 -83.9 177.33 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.661 HD11 ' CE2' ' B' ' 68' ' ' PHE . 1.9 pt? -159.63 -171.24 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -155.14 -78.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 46.85 85.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.73 127.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -58.3 159.55 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.4 149.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -157.52 74.69 4.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.663 0.745 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -31.42 20.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HB3' HD12 ' A' ' 75' ' ' LEU . 2.1 mm-40 -78.11 49.78 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 mt -62.69 -64.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.9 m -48.15 -39.89 22.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.941 HD22 HD11 ' B' ' 76' ' ' ILE . 28.4 mt -57.19 -53.48 57.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.634 HD11 HD22 ' B' ' 75' ' ' LEU . 41.9 mm -55.93 -44.78 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.8 mm -62.57 -49.39 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.21 -46.92 75.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.686 ' O ' HG22 ' B' ' 80' ' ' VAL . . . -56.85 -54.04 39.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.693 HG22 ' O ' ' B' ' 79' ' ' GLY . 47.9 t -62.75 -34.7 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.2 mmm -65.97 -46.89 76.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.85 79.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.574 ' CA ' HG13 ' B' ' 80' ' ' VAL . . . -61.64 -51.29 58.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.533 HG13 ' OG1' ' B' ' 87' ' ' THR . 46.7 t -53.98 -57.79 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' A' ' 88' ' ' ILE . 39.2 mm -55.44 -41.21 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.83 -52.12 55.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.838 HG22 HD11 ' A' ' 91' ' ' ILE . 2.0 m -57.11 -43.62 82.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.68 HG13 HG21 ' B' ' 87' ' ' THR . 37.7 mt -55.31 -51.36 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.58 -53.35 58.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.42 -50.09 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.838 HD11 HG22 ' A' ' 87' ' ' THR . 48.7 mt -55.75 -53.12 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.4 m -53.82 -28.64 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -36.29 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.42 -42.16 97.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 91' ' ' ILE . 3.1 mp -65.6 -38.38 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 111.177 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -75.29 -39.98 59.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.11 26.73 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.407 ' C ' HD22 ' A' ' 98' ' ' LEU . 1.2 tm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.45 124.22 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -74.36 175.99 7.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -163.74 -170.58 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.78 39.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.96 160.2 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.63 46.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . 0.661 ' CE2' HD11 ' A' ' 64' ' ' LEU . 1.6 p90 -51.03 155.12 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.62 146.43 42.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -157.45 68.87 4.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.663 0.744 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 -48.57 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.48 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 67.9 mt -49.85 -47.99 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.526 HG23 ' CD ' ' A' ' 63' ' ' GLN . 94.1 m -49.81 -52.53 31.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.634 HD22 HD11 ' A' ' 76' ' ' ILE . 73.3 mt -55.95 -49.78 72.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.941 HD11 HD22 ' A' ' 75' ' ' LEU . 34.3 mm -56.64 -44.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 mm -64.61 -50.18 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -54.45 -46.55 73.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.693 ' O ' HG22 ' A' ' 80' ' ' VAL . . . -57.52 -54.23 38.82 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 79' ' ' GLY . 46.2 t -62.55 -34.12 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -47.13 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.36 81.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.546 ' CA ' HG13 ' A' ' 80' ' ' VAL . . . -62.13 -51.48 56.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 80' ' ' VAL . 47.0 t -53.78 -57.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.651 ' HA ' HD12 ' B' ' 88' ' ' ILE . 40.1 mm -55.52 -41.15 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.42 -52.23 53.99 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.68 HG21 HG13 ' A' ' 88' ' ' ILE . 3.2 m -57.12 -45.02 83.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 111.127 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.675 HG13 HG21 ' A' ' 87' ' ' THR . 40.0 mt -53.98 -51.19 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.59 -53.17 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.39 -51.29 70.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.765 HG21 HG21 ' A' ' 91' ' ' ILE . 25.9 mm -55.27 -45.52 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 3.7 t -55.34 -34.82 64.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -70.18 -36.36 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.14 -37.29 93.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.5 -31.14 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -74.36 -42.0 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.44 24.2 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.934 . . . . . . . . 0 0 . 1 stop_ save_