data_6qkp_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6qkp _Structure_validation_residue.Date_analyzed 2019-07-12 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 ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.01 0.433 . . . . 73.3 110.255 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.13 87.21 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.495 -0.775 . . . . 64.03 111.25 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.64 -38.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.53 110.609 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -65.26 -43.42 91.34 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.746 -0.206 . . . . 73.04 111.326 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 60.6 mt-10 -63.98 -39.5 94.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.398 -0.521 . . . . 70.15 111.056 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -63.21 -44.7 94.57 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 108.789 -0.819 . . . . 74.31 108.789 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.06 -48.37 76.17 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 114.862 -1.063 . . . . 74.55 109.948 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -64.39 -39.08 93.15 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.86 0.318 . . . . 74.4 111.86 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 64.8 mtt180 -66.84 -27.73 67.77 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.993 0.425 . . . . 73.45 111.64 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -94.9 -12.87 26.06 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.562 0.578 . . . . 73.33 112.562 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.69 23.04 22.17 Favored Glycine 0 C--N 1.312 -0.764 0 C-N-CA 120.945 -0.645 . . . . 74.02 113.482 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.308 -1.231 0 N-CA-C 108.557 -0.905 . . . . 75.13 108.557 178.002 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.1 mt . . . . . 0 N--CA 1.423 -1.788 0 N-CA-C 107.409 -1.33 . . . . 74.34 107.409 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.22 133.57 47.43 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 121.887 1.725 . . . . 71.2 110.985 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.15 -30.44 59.84 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 123.598 0.759 . . . . 74.13 111.036 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.67 -39.22 93.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.1 -0.954 . . . . 74.3 110.739 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -74.35 -37.97 46.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 108.794 -0.817 . . . . 65.35 108.794 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.91 -41.12 91.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.736 -0.666 . . . . 64.41 110.118 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.6 -48.55 69.2 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.97 -0.752 . . . . 74.34 108.97 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.53 87.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.076 -0.965 . . . . 61.15 110.316 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -54.87 -57.44 11.58 Favored 'General case' 0 C--O 1.201 -1.455 0 CA-C-N 115.89 -0.596 . . . . 73.51 110.249 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -68.16 -18.46 64.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.125 0.787 . . . . 73.24 113.125 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.01 30.83 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.368 -0.378 . . . . 75.2 111.371 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.89 -28.19 13.94 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 122.346 1.07 . . . . 64.33 109.543 -175.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.9 m . . . . . 0 N--CA 1.383 -3.787 0 CA-C-N 113.769 -1.559 . . . . 72.15 108.871 -172.491 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 109.914 -0.402 . . . . 72.54 109.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.59 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.757 -0.656 . . . . 72.24 111.458 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.404 HG12 ' CG ' ' A' ' 108' ' ' TYR . 80.2 mt -66.5 -43.12 91.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.505 -0.554 . . . . 73.54 109.505 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -61.6 -43.25 99.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.611 -0.268 . . . . 74.23 111.567 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 57.7 mt-10 -59.54 -49.47 77.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.422 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -60.3 -44.81 95.08 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.085 0.554 . . . . 74.2 109.716 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.9 82.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.429 -0.805 . . . . 75.4 110.649 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -74.64 -21.59 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.652 0.612 . . . . 74.1 112.652 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 34.8 mmt180 -79.54 -30.45 41.77 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.37 -0.532 . . . . 74.01 109.646 175.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -94.87 -17.07 22.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.156 1.169 . . . . 73.34 114.156 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.81 19.58 10.17 Favored Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.03 -1.081 . . . . 72.0 113.92 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 . . . . . 0 C--N 1.306 -1.311 0 N-CA-C 108.907 -0.775 . . . . 74.0 108.907 179.459 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.5 mt . . . . . 0 N--CA 1.435 -1.209 0 N-CA-C 106.616 -1.624 . . . . 65.44 106.616 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -59.24 132.29 45.9 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.02 1.813 . . . . 74.32 111.544 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.69 -30.63 65.64 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 123.817 0.847 . . . . 72.44 110.392 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.14 -40.3 95.47 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.704 1.202 . . . . 74.4 110.516 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.33 -41.28 50.41 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 108.899 -0.778 . . . . 71.44 108.899 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.403 -0.817 . . . . 74.52 109.737 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.19 -46.01 82.49 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.094 -0.957 . . . . 74.21 109.639 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.25 86.41 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.057 -0.974 . . . . 70.31 110.261 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.426 ' O ' HG22 ' A' ' 112' ' ' THR . 73.3 t80 -59.35 -56.37 22.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.542 0.737 . . . . 72.43 110.198 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.59 -24.29 67.04 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 112.335 0.495 . . . . 74.23 112.335 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.35 24.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.975 -0.557 . . . . 74.34 110.644 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.74 51.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.912 1.079 . . . . 73.42 113.912 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 108' ' ' TYR . 15.0 t . . . . . 0 N--CA 1.424 -1.761 0 C-N-CA 119.147 -1.021 . . . . 71.34 111.064 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.811 -0.44 . . . . 75.01 109.811 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.91 92.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.481 -0.781 . . . . 60.24 110.875 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 HG12 ' CG ' ' A' ' 108' ' ' TYR . 72.6 mt -64.25 -42.1 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 O-C-N 123.364 0.415 . . . . 73.24 110.347 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -60.8 -46.74 89.33 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.955 0.407 . . . . 74.34 111.049 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 43.4 mt-10 -65.16 -42.52 93.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.989 -0.55 . . . . 72.23 111.458 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.44 -42.9 97.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.924 -0.769 . . . . 74.14 108.924 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.37 -52.17 66.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.436 -0.802 . . . . 74.04 110.045 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -60.24 -40.81 91.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.616 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 82.4 mtt180 -69.65 -26.63 64.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.795 0.665 . . . . 74.44 112.795 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -89.63 -29.52 18.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.315 -0.402 . . . . 73.51 111.529 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.25 24.95 4.28 Favored Glycine 0 C--N 1.314 -0.683 0 C-N-CA 120.67 -0.776 . . . . 75.44 113.043 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 107.315 -1.365 . . . . 74.02 107.315 176.844 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.9 mt . . . . . 0 N--CA 1.425 -1.717 0 N-CA-C 105.645 -1.983 . . . . 73.22 105.645 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -60.15 128.6 26.95 Favored 'Trans proline' 0 C--O 1.245 0.867 0 C-N-CA 122.597 2.198 . . . . 75.52 112.023 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -27.19 65.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 61.23 111.849 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.63 -40.69 95.93 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.588 -0.523 . . . . 74.35 109.588 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.78 -39.22 68.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.776 -0.824 . . . . 74.22 108.776 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.58 -41.88 91.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.847 -0.615 . . . . 63.12 110.258 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.12 -46.23 74.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.894 -0.594 . . . . 72.13 110.084 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.93 91.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.399 -0.819 . . . . 73.15 110.18 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.414 ' CG ' HG12 ' A' ' 83' ' ' ILE . 58.5 t80 -54.64 -59.0 5.3 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.634 -0.712 . . . . 74.23 109.989 176.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -69.13 -17.29 63.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.546 0.573 . . . . 75.34 112.546 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.03 31.53 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 122.294 -0.254 . . . . 55.42 110.866 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.9 -42.59 9.96 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 122.419 1.104 . . . . 74.14 108.532 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 46.5 m . . . . . 1 N--CA 1.378 -4.062 0 CA-C-N 112.869 -1.969 . . . . 70.25 109.227 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.724 -0.473 . . . . 74.23 109.724 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.79 91.43 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.722 -0.672 . . . . 72.22 111.198 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CD1' ' A' ' 108' ' ' TYR . 71.8 mt -66.31 -44.38 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.919 -0.4 . . . . 74.34 109.919 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -62.26 -40.95 97.9 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.256 -0.429 . . . . 72.54 111.265 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.6 mt-10 -66.34 -39.68 89.35 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.832 0.678 . . . . 74.32 112.832 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -63.81 -43.0 97.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.167 -1.049 . . . . 75.33 108.167 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 92' ' ' HIS . . . -57.52 -45.35 85.11 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.559 -1.201 . . . . 73.14 110.574 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -69.7 -30.6 68.27 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.287 -0.415 . . . . 75.54 112.073 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.9 mmt-85 -69.82 -38.63 76.64 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.226 -0.59 . . . . 73.23 109.665 176.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.42 -12.36 40.46 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.458 0.91 . . . . 75.02 113.458 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.11 35.01 6.87 Favored Glycine 0 C--N 1.313 -0.737 0 C-N-CA 120.862 -0.685 . . . . 51.23 114.284 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . 39.9 m-70 . . . . . 0 C--N 1.311 -1.092 0 CA-C-N 117.321 0.56 . . . . 74.42 109.669 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 N--CA 1.44 -0.969 0 N-CA-C 107.365 -1.346 . . . . 73.05 107.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.07 128.54 30.63 Favored 'Trans proline' 0 C--O 1.261 1.626 0 C-N-CA 122.118 1.879 . . . . 70.42 111.492 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.55 -28.26 44.48 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.712 0.805 . . . . 74.43 112.219 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.31 -37.17 77.65 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 120.523 0.201 . . . . 71.12 110.808 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.3 t -70.73 -38.79 74.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 N-CA-C 108.427 -0.953 . . . . 75.53 108.427 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.77 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.199 -0.909 . . . . 74.23 109.825 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.33 -47.53 76.19 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.497 -0.774 . . . . 65.4 109.541 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.39 93.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.04 -0.982 . . . . 75.0 110.807 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.488 ' CD1' HG12 ' A' ' 83' ' ' ILE . 92.4 t80 -59.73 -53.29 59.68 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 123.074 0.55 . . . . 74.53 110.086 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -72.55 -13.89 61.51 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.8 0.667 . . . . 72.03 112.8 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.89 -50.5 11.11 Favored 'General case' 0 N--CA 1.433 -1.293 0 N-CA-C 108.68 -0.859 . . . . 75.31 108.68 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.87 64.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.337 -0.847 . . . . 74.43 111.94 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.421 -1.918 0 CA-C-O 117.689 -1.148 . . . . 74.34 110.195 -178.12 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.244 0 N-CA-C 109.646 -0.502 . . . . 74.32 109.646 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.81 81.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.748 -0.66 . . . . 71.51 111.339 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.413 HG12 ' CD1' ' A' ' 108' ' ' TYR . 71.3 mt -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.792 -0.447 . . . . 74.52 109.792 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -62.72 -44.09 97.12 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.777 -0.647 . . . . 75.25 110.28 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 69.3 mm-40 -59.43 -49.55 77.36 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.107 -0.951 . . . . 71.02 110.338 175.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.6 -43.23 84.52 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.652 0.781 . . . . 75.51 109.599 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -54.04 50.6 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.147 -0.933 . . . . 73.12 110.641 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -60.12 -38.17 82.22 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.995 -0.548 . . . . 74.41 111.839 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 72.6 mtt180 -71.57 -27.67 63.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.12 -0.491 . . . . 74.23 112.116 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.95 -15.19 25.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.609 0.596 . . . . 74.44 112.609 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 23.05 10.89 Favored Glycine 0 C--N 1.309 -0.947 0 C-N-CA 120.609 -0.805 . . . . 64.0 113.21 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 N--CA 1.432 -1.336 0 N-CA-C 107.52 -1.289 . . . . 75.11 107.52 176.15 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.235 0.3 0 N-CA-C 111.278 0.103 . . . . 75.14 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -73.91 141.39 30.06 Favored 'Trans proline' 0 C--O 1.261 1.641 0 C-N-CA 122.295 1.997 . . . . 73.02 110.622 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.07 -29.51 63.52 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.621 0.768 . . . . 75.03 111.764 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.49 -40.36 94.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.116 0.484 . . . . 74.34 110.563 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.83 -35.76 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.777 -0.647 . . . . 63.32 109.601 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.74 -40.68 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.588 0.709 . . . . 73.33 109.5 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.19 -51.62 62.9 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.031 -0.986 . . . . 75.23 110.425 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.59 95.37 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.215 -0.902 . . . . 52.31 110.255 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.413 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.2 t80 -53.9 -54.49 38.04 Favored 'General case' 0 C--O 1.196 -1.724 0 CA-C-N 115.713 -0.676 . . . . 70.31 110.408 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.98 -22.22 62.21 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.954 0.724 . . . . 74.51 112.954 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.29 49.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.427 -0.351 . . . . 63.21 110.938 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.77 -41.78 5.81 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 122.236 1.017 . . . . 73.33 110.025 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.4 m . . . . . 0 N--CA 1.387 -3.599 0 CA-C-N 113.554 -1.657 . . . . 74.31 110.141 -172.593 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.634 0 CA-C-O 120.509 0.195 . . . . 71.34 110.548 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.73 92.22 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.921 -0.581 . . . . 74.32 110.819 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.19 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.424 -0.584 . . . . 73.24 109.424 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -63.75 -38.54 91.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 73.44 111.36 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 45.4 mt-10 -63.19 -45.34 92.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.373 -0.376 . . . . 73.1 110.595 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.01 -44.31 97.6 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.839 -0.8 . . . . 74.5 108.839 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.69 -51.04 68.63 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.175 -0.921 . . . . 75.32 109.701 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HG2' ' A' ' 85' ' ' GLU . 49.6 mtm180 -61.35 -38.78 88.16 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.925 -0.58 . . . . 73.3 112.418 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 16.2 mmt180 -66.64 -38.41 86.83 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.895 0.378 . . . . 75.32 110.897 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -90.73 -9.31 47.14 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 113.065 0.765 . . . . 74.41 113.065 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.33 30.93 8.75 Favored Glycine 0 C--N 1.312 -0.77 0 C-N-CA 120.646 -0.788 . . . . 62.12 113.261 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 . . . . . 0 N--CA 1.428 -1.538 0 N-CA-C 107.193 -1.41 . . . . 74.32 107.193 176.202 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt . . . . . 0 N--CA 1.428 -1.532 0 N-CA-C 109.216 -0.661 . . . . 75.25 109.216 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -64.37 134.04 40.13 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.529 2.153 . . . . 74.2 111.574 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.4 -27.65 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.341 0.657 . . . . 75.24 111.002 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -41.52 98.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.954 -0.566 . . . . 73.43 110.539 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.5 t -74.73 -36.95 41.76 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 N-CA-C 109.357 -0.609 . . . . 74.24 109.357 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 77.8 mt -64.02 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.943 -0.572 . . . . 74.33 110.172 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.1 -40.19 71.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.983 -0.553 . . . . 73.11 110.154 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.41 96.05 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-N 115.992 -0.549 . . . . 55.23 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.404 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 70.2 t80 -53.96 -57.29 11.56 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.959 -1.018 . . . . 75.23 109.474 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -67.31 -22.57 65.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.339 0.866 . . . . 72.21 113.339 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.91 -20.97 34.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.736 -0.211 . . . . 72.12 111.424 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.2 -40.23 7.67 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.569 1.176 . . . . 74.44 109.503 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 1 N--CA 1.374 -4.237 0 CA-C-N 113.105 -1.862 . . . . 71.52 110.091 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 109.485 -0.561 . . . . 62.42 109.485 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.76 89.56 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 123.782 0.676 . . . . 73.55 111.145 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.56 -42.58 96.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 110.202 -0.296 . . . . 74.34 110.202 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -60.77 -46.02 92.08 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.023 0.439 . . . . 73.02 110.861 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 8.9 mm-40 -60.87 -48.98 79.32 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.16 -0.927 . . . . 73.44 110.014 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -60.0 -43.59 95.09 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.17 0.588 . . . . 75.24 109.64 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.07 81.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.658 -0.701 . . . . 61.1 110.421 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -74.66 -24.63 58.84 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.291 0.848 . . . . 74.41 113.291 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.4 mmt180 -71.76 -37.57 70.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.089 -0.708 . . . . 73.35 109.089 174.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -89.85 -21.4 22.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.833 1.049 . . . . 73.54 113.833 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.08 24.6 6.49 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.912 -1.137 . . . . 64.11 113.652 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--N 1.307 -1.244 0 N-CA-C 107.459 -1.312 . . . . 71.24 107.459 177.322 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.428 -1.542 0 N-CA-C 107.919 -1.141 . . . . 74.22 107.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -63.39 130.94 30.02 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 121.758 1.638 . . . . 71.14 111.08 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.36 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.373 0.669 . . . . 65.44 110.492 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.45 -41.95 90.87 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.515 -0.766 . . . . 65.23 109.583 175.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.77 -38.51 44.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-N 115.589 -0.732 . . . . 71.24 109.279 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.77 -42.57 92.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 116.039 -0.528 . . . . 73.32 110.162 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.63 -47.81 71.43 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 115.926 -0.579 . . . . 63.25 109.685 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.85 82.12 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.171 0.919 . . . . 73.2 110.555 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -54.54 -59.39 4.77 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 123.695 0.798 . . . . 74.15 110.335 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -67.29 -19.7 65.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.513 0.931 . . . . 71.22 113.513 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.72 -27.35 29.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.446 -0.343 . . . . 53.12 111.361 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.99 -29.19 13.43 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 122.207 1.003 . . . . 71.2 109.892 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.384 -3.729 0 CA-C-N 113.748 -1.569 . . . . 74.04 109.48 -172.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.216 -0.7 0 N-CA-C 109.267 -0.642 . . . . 74.0 109.267 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.94 97.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.915 -0.584 . . . . 74.02 110.687 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.424 HG12 ' CD1' ' A' ' 108' ' ' TYR . 66.5 mt -60.37 -44.2 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.312 -0.625 . . . . 75.33 109.312 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.69 -45.11 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.348 -0.842 . . . . 73.12 111.782 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 34.6 mt-10 -69.43 -37.41 77.41 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.023 -0.535 . . . . 74.24 111.366 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -64.0 -42.79 97.05 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 108.53 -0.915 . . . . 74.21 108.53 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.55 75.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.596 -1.184 . . . . 73.42 110.629 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -69.59 -27.31 65.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.825 0.676 . . . . 73.31 112.825 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -70.93 -33.63 70.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.229 0.538 . . . . 75.11 111.359 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.65 -17.2 30.54 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.602 0.593 . . . . 72.13 112.602 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 12.43 33.91 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.907 -0.664 . . . . 73.44 113.695 175.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.316 -0.89 0 CA-C-N 117.086 0.443 . . . . 54.04 109.859 179.568 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt . . . . . 0 C--O 1.24 0.557 0 N-CA-C 109.16 -0.681 . . . . 75.31 109.16 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.62 134.4 47.37 Favored 'Trans proline' 0 C--O 1.253 1.257 0 C-N-CA 122.4 2.066 . . . . 74.14 112.084 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.25 68.66 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.642 0.777 . . . . 73.55 110.529 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -38.23 85.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.208 -0.451 . . . . 62.24 110.688 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.58 -39.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.249 -0.649 . . . . 64.33 109.249 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.78 -45.55 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.833 -0.621 . . . . 72.14 110.3 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.888 -0.596 . . . . 61.5 110.086 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.37 91.12 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.315 -0.857 . . . . 74.24 110.149 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 112' ' ' THR . 86.6 t80 -58.29 -56.34 23.29 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.468 0.707 . . . . 72.35 110.44 177.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -67.08 -19.05 65.59 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 113.011 0.745 . . . . 71.43 113.011 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.15 -41.7 13.57 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.752 0.311 . . . . 73.45 111.166 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.62 -46.26 22.64 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 113.507 0.929 . . . . 74.32 113.507 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 108' ' ' TYR . 10.5 t . . . . . 0 N--CA 1.429 -1.504 0 C-N-CA 120.002 -0.679 . . . . 75.53 109.346 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.703 0 CA-C-O 120.772 0.32 . . . . 73.43 110.404 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.17 85.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.033 -0.53 . . . . 70.14 111.287 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.26 -43.07 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 109.399 -0.593 . . . . 72.21 109.399 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 34.8 mtp180 -62.08 -48.07 81.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.358 -0.837 . . . . 75.23 111.382 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -72.84 -28.3 62.45 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.849 -0.614 . . . . 74.44 112.229 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.9 -40.91 95.83 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 107.896 -1.15 . . . . 74.24 107.896 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 84' ' ' ARG . . . -59.58 -43.76 93.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.976 -1.011 . . . . 63.32 109.754 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 1.1 mmp_? -62.22 -45.3 93.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.37 -0.377 . . . . 73.52 110.365 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -59.9 -35.58 75.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.66 0.743 . . . . 74.14 110.541 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -95.29 -9.49 32.93 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 114.128 1.158 . . . . 70.1 114.128 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.55 35.37 10.51 Favored Glycine 0 C--N 1.312 -0.773 0 C-N-CA 119.982 -1.104 . . . . 73.13 112.54 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--N 1.3 -1.583 0 N-CA-C 108.933 -0.766 . . . . 72.54 108.933 177.596 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt . . . . . 0 N--CA 1.422 -1.873 0 N-CA-C 107.691 -1.225 . . . . 74.51 107.691 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.46 134.33 57.7 Favored 'Trans proline' 0 C--O 1.252 1.19 0 C-N-CA 122.238 1.959 . . . . 73.13 111.059 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.44 62.57 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 115.672 -0.694 . . . . 63.21 110.969 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -61.61 -39.9 92.91 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.475 -0.329 . . . . 72.24 110.447 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.9 t -75.71 -39.84 39.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 N-CA-C 109.369 -0.604 . . . . 64.51 109.369 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.81 -43.4 97.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.385 0.612 . . . . 75.11 109.904 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.33 -45.7 79.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.381 -0.827 . . . . 73.21 110.033 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.67 91.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.286 -0.87 . . . . 74.51 110.479 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.72 -57.22 13.71 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.917 0.887 . . . . 74.52 110.023 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -66.12 -23.64 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.159 0.429 . . . . 71.24 112.159 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.19 -30.93 43.66 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 122.328 -0.232 . . . . 71.42 110.893 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.72 -51.07 6.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.454 0.538 . . . . 62.3 112.454 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.256 1.407 0 N-CA-C 109.106 -0.702 . . . . 65.54 109.106 -178.559 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 109.04 -0.726 . . . . 74.44 109.04 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.76 88.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 74.34 110.754 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 108' ' ' TYR . 66.4 mt -64.41 -42.56 95.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.379 -0.6 . . . . 71.41 109.379 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -59.39 -46.43 88.71 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.928 -0.578 . . . . 71.22 110.897 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.1 mm-40 -59.13 -50.24 74.81 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.76 -0.654 . . . . 74.21 111.244 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.1 -42.92 95.72 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 123.38 0.672 . . . . 71.22 109.932 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.39 -50.23 72.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.592 -0.731 . . . . 74.53 109.772 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.24 -37.22 86.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.833 -0.622 . . . . 74.13 112.285 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.3 mmt180 -65.86 -36.21 82.81 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.246 0.546 . . . . 71.51 110.313 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -91.59 -12.81 33.26 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 112.957 0.725 . . . . 74.12 112.957 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.72 24.44 17.92 Favored Glycine 0 C--N 1.307 -1.028 0 C-N-CA 120.825 -0.703 . . . . 64.43 113.205 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 . . . . . 0 C--N 1.304 -1.409 0 N-CA-C 108.106 -1.072 . . . . 64.41 108.106 176.336 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 N--CA 1.432 -1.365 0 N-CA-C 107.005 -1.479 . . . . 74.33 107.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.46 130.66 36.63 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.492 2.128 . . . . 73.33 112.679 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.55 -29.8 66.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.626 0.771 . . . . 71.24 110.696 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.66 -41.24 97.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.807 -0.633 . . . . 53.43 109.826 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.22 -36.93 44.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 115.65 -0.705 . . . . 73.34 109.121 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.5 -45.46 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.575 . . . . 71.41 109.969 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.63 -42.37 91.58 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.047 -0.524 . . . . 65.24 109.79 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.79 95.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.227 -0.897 . . . . 54.23 110.296 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.43 ' CD2' HG12 ' A' ' 83' ' ' ILE . 85.6 t80 -59.62 -55.77 30.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.847 0.859 . . . . 74.22 109.887 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -69.95 -13.99 62.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.82 0.674 . . . . 75.23 112.82 -178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.41 -32.98 19.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.793 0.33 . . . . 74.53 110.703 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.1 -46.05 13.25 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 112.376 0.509 . . . . 54.34 112.376 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.426 -1.674 0 CA-C-O 118.152 -0.928 . . . . 70.23 111.005 -177.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 110.044 -0.354 . . . . 75.13 110.044 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.03 84.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.796 -0.638 . . . . 63.33 110.005 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 109.321 -0.622 . . . . 73.44 109.321 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 57.8 mtp180 -61.91 -41.93 98.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.764 -0.653 . . . . 75.35 111.198 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.642 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 38.7 mm-40 -60.06 -49.66 76.79 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 122.667 0.387 . . . . 71.45 110.314 176.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.08 -44.04 91.84 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 123.403 0.681 . . . . 75.03 109.222 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . -58.83 -41.85 87.84 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.317 -0.856 . . . . 72.1 110.694 178.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 36.6 mmt180 -65.96 -36.87 84.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.024 -0.534 . . . . 73.43 111.214 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.3 mmt180 -72.0 -40.16 68.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.264 0.554 . . . . 73.42 110.483 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -82.44 -20.35 37.16 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.587 -0.733 . . . . 75.21 112.436 -177.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.88 42.54 3.29 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.192 -1.004 . . . . 74.23 113.353 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . 66.1 m-70 . . . . . 0 C--N 1.298 -1.631 0 N-CA-C 109.333 -0.617 . . . . 75.52 109.333 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.4 mt . . . . . 0 N--CA 1.429 -1.507 0 N-CA-C 107.246 -1.39 . . . . 75.24 107.246 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.44 136.64 60.3 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 122.014 1.809 . . . . 74.14 111.721 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -26.8 66.3 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 123.442 0.697 . . . . 74.3 110.359 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.34 -39.52 94.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.994 -0.548 . . . . 75.04 110.405 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.51 -40.77 63.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.433 -0.951 . . . . 74.31 108.433 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.84 -40.67 89.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.425 -0.807 . . . . 61.54 110.188 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.69 -50.23 65.64 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.687 -0.688 . . . . 74.04 109.314 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.79 89.81 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.233 -0.894 . . . . 62.15 110.523 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -55.5 -54.87 38.54 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.883 0.873 . . . . 74.31 109.97 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.54 -14.32 60.4 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.976 0.732 . . . . 73.55 112.976 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.7 -15.75 27.97 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 122.258 -0.276 . . . . 51.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.7 -41.68 6.81 Favored 'General case' 0 CA--C 1.479 -1.781 0 CA-C-O 122.199 0.999 . . . . 63.33 108.633 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.383 -3.81 0 CA-C-N 113.251 -1.795 . . . . 74.31 109.497 -174.326 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 120.571 0.224 . . . . 74.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.37 85.6 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.795 -0.639 . . . . 60.23 111.148 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.79 -44.75 96.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.507 -0.553 . . . . 62.23 109.507 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -60.86 -41.69 96.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.943 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.52 -42.28 87.5 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 73.15 111.583 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -64.64 -43.11 94.71 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.07 -0.715 . . . . 75.44 109.07 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.53 69.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.375 -0.83 . . . . 75.02 110.047 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -61.66 -40.51 95.2 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.839 -0.618 . . . . 74.02 112.459 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -71.04 -28.54 64.45 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.368 0.507 . . . . 70.02 112.368 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -94.3 -11.2 30.58 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.704 0.631 . . . . 73.43 112.704 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.68 24.44 20.76 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.671 -0.776 . . . . 70.11 113.496 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 . . . . . 0 C--N 1.305 -1.35 0 N-CA-C 109.292 -0.633 . . . . 72.32 109.292 177.3 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.8 mt . . . . . 0 N--CA 1.433 -1.291 0 N-CA-C 108.753 -0.832 . . . . 73.52 108.753 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.4 131.36 24.59 Favored 'Trans proline' 0 C--O 1.251 1.173 0 C-N-CA 121.702 1.601 . . . . 72.23 110.393 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.74 -22.57 65.5 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 122.921 0.488 . . . . 73.13 111.549 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.99 -39.5 94.26 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.716 -0.846 . . . . 75.02 108.716 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.44 -37.68 30.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-N 115.413 -0.812 . . . . 51.25 108.823 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.08 -46.24 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.905 -0.588 . . . . 75.03 110.06 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.33 -44.27 75.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.051 -0.522 . . . . 61.33 110.207 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.09 84.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.847 -0.615 . . . . 74.45 110.072 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.99 -56.85 15.74 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.079 0.952 . . . . 60.2 110.782 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -67.44 -23.73 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.606 0.595 . . . . 72.13 112.606 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.3 -20.24 28.68 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.099 0.476 . . . . 75.2 111.057 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.46 -49.34 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.348 0.869 . . . . 73.24 113.348 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.251 1.174 0 C-N-CA 120.373 -0.531 . . . . 73.14 110.758 -173.806 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 120.638 0.256 . . . . 74.11 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.19 93.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 71.2 111.173 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.445 HG12 ' CD2' ' A' ' 108' ' ' TYR . 68.2 mt -66.31 -43.49 91.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.287 -0.634 . . . . 75.21 109.287 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -59.57 -44.57 93.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.683 -0.69 . . . . 73.32 111.234 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -68.28 -37.75 81.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.614 -0.721 . . . . 72.43 111.317 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -63.35 -41.26 98.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.272 -1.01 . . . . 64.44 108.272 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.86 87.12 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.1 -0.954 . . . . 51.24 110.583 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -64.1 -43.08 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.941 -0.304 . . . . 74.23 111.125 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -60.26 -37.33 80.08 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.162 0.585 . . . . 74.24 111.226 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -89.16 -21.92 23.08 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.032 0.753 . . . . 74.02 113.032 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.58 35.09 4.48 Favored Glycine 0 C--N 1.315 -0.598 0 C-N-CA 120.794 -0.717 . . . . 75.41 113.204 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 . . . . . 0 C--N 1.306 -1.311 0 O-C-N 122.511 -0.405 . . . . 74.55 109.986 178.712 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--O 1.243 0.752 0 N-CA-C 111.251 0.093 . . . . 74.43 111.251 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.11 133.79 42.75 Favored 'Trans proline' 0 C--O 1.257 1.43 0 C-N-CA 122.357 2.038 . . . . 75.14 110.804 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.21 63.1 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.443 0.697 . . . . 74.33 112.283 -177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -64.12 -42.66 96.76 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.158 -0.682 . . . . 74.01 109.158 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.2 t -72.54 -39.5 61.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.282 -0.872 . . . . 74.12 108.724 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 68.5 mt -59.57 -45.54 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.604 . . . . 73.52 110.941 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.79 -43.51 83.74 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 120.764 -0.374 . . . . 74.4 110.01 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.66 86.38 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.882 -0.599 . . . . 75.34 110.617 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.445 ' CD2' HG12 ' A' ' 83' ' ' ILE . 74.1 t80 -59.19 -58.49 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.01 0.924 . . . . 75.01 110.606 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -66.18 -18.57 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.08 0.4 . . . . 71.32 112.08 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.74 26.22 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 73.44 110.677 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.74 -33.99 21.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.01 0.744 . . . . 75.05 113.01 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.43 -1.455 0 C-N-CA 120.215 -0.594 . . . . 74.23 110.537 -178.591 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.721 0 CA-C-O 120.439 0.161 . . . . 73.54 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.42 99.39 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.897 0.748 . . . . 65.14 110.721 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.87 -45.22 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.048 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -58.66 -43.7 89.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.317 0.58 . . . . 71.15 110.443 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -63.41 -41.12 98.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.732 -0.667 . . . . 73.43 112.314 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -66.49 -41.31 89.14 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.162 -0.681 . . . . 73.45 109.162 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.094 -0.957 . . . . 73.14 110.52 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -69.9 -35.1 74.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.285 -0.416 . . . . 74.53 111.266 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -62.82 -38.05 89.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 121.338 0.589 . . . . 64.4 112.007 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -89.4 -30.12 18.58 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.601 -0.727 . . . . 75.55 112.671 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 45.03 1.52 Allowed Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.315 -0.945 . . . . 74.34 112.367 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 C--N 1.3 -1.544 0 N-CA-C 108.771 -0.826 . . . . 74.22 108.771 176.254 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.9 mt . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 109.37 -0.604 . . . . 70.52 109.37 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.96 136.07 34.09 Favored 'Trans proline' 0 C--O 1.254 1.308 0 C-N-CA 122.11 1.874 . . . . 73.12 111.353 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.12 67.37 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 116.102 -0.499 . . . . 73.3 111.054 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.27 -42.16 85.89 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.063 -0.517 . . . . 75.01 110.479 174.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.03 -37.6 47.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.287 -0.635 . . . . 62.13 109.287 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.01 -43.88 99.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.864 -0.607 . . . . 72.41 110.303 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.54 -43.59 89.44 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 108.985 -0.746 . . . . 75.51 108.985 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.54 99.48 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.938 -1.028 . . . . 62.24 110.467 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.97 -53.69 49.36 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 123.58 0.752 . . . . 74.13 109.289 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -71.89 -18.45 62.04 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.951 0.723 . . . . 74.53 112.951 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.86 -25.05 30.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.624 -0.262 . . . . 70.34 111.341 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.47 -41.28 7.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 122.335 1.064 . . . . 73.33 109.836 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.381 -3.891 0 CA-C-N 113.479 -1.692 . . . . 74.3 109.782 -173.681 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.185 0 N-CA-C 110.741 -0.096 . . . . 63.13 110.741 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.85 90.18 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.939 0.4 . . . . 75.15 110.374 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -63.01 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 N-CA-C 108.6 -0.889 . . . . 74.12 108.6 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.12 -38.39 85.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 75.53 112.042 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -56.82 -48.34 78.21 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.994 -0.743 . . . . 73.33 108.994 174.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -65.22 -43.32 91.85 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.166 -0.924 . . . . 72.31 109.869 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 92' ' ' HIS . . . -57.38 -45.37 84.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 74.42 110.087 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -64.39 -40.18 95.3 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.077 -0.51 . . . . 74.34 112.06 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -60.77 -38.23 84.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.476 0.655 . . . . 74.34 110.689 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -90.56 -11.98 38.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.587 0.958 . . . . 72.21 113.587 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.69 36.89 7.13 Favored Glycine 0 C--N 1.308 -0.997 0 C-N-CA 120.277 -0.963 . . . . 61.03 112.938 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . 49.9 m-70 . . . . . 0 C--N 1.299 -1.59 0 N-CA-C 108.855 -0.794 . . . . 72.43 108.855 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 C--O 1.234 0.256 0 N-CA-C 110.107 -0.331 . . . . 72.45 110.107 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.33 137.39 80.23 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 122.513 2.142 . . . . 71.54 111.89 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.23 -27.06 63.59 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.151 -0.931 . . . . 75.14 110.77 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.58 -43.93 93.49 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 116.248 -0.433 . . . . 72.13 110.558 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.28 -41.06 57.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.92 -0.77 . . . . 74.22 108.92 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.0 -39.2 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.366 0.603 . . . . 75.2 110.526 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.8 -47.23 72.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.558 -0.746 . . . . 74.42 109.699 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.33 94.2 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.242 -0.89 . . . . 71.21 109.976 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -55.96 -55.56 31.22 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.289 1.036 . . . . 74.41 111.021 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -71.1 -25.76 62.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.659 -0.417 . . . . 71.11 112.038 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.54 71.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.067 0.461 . . . . 64.44 110.344 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.28 -48.1 8.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.707 -0.678 . . . . 64.31 112.558 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.262 1.755 0 CA-C-O 118.562 -0.732 . . . . 64.43 110.952 -177.25 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.271 0 CA-C-O 120.518 0.199 . . . . 71.42 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.81 86.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 116.137 -0.483 . . . . 74.14 110.633 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.31 -40.95 89.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 109.183 -0.673 . . . . 74.31 109.183 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -61.26 -43.57 98.67 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.86 -0.609 . . . . 73.14 111.439 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 35.9 mm-40 -58.11 -46.56 85.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 122.643 0.377 . . . . 71.1 110.7 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -64.78 -42.82 94.79 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.952 -0.758 . . . . 73.12 108.952 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.27 85.84 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.224 -0.898 . . . . 74.53 110.242 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -39.51 93.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 73.24 110.441 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.5 mmt180 -62.06 -44.8 95.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.372 0.606 . . . . 75.11 110.467 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.84 -28.42 44.33 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.187 -0.915 . . . . 75.04 112.331 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.59 22.2 8.26 Favored Glycine 0 C--N 1.307 -1.039 0 C-N-CA 120.317 -0.944 . . . . 74.0 112.058 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--N 1.312 -1.05 0 N-CA-C 108.94 -0.763 . . . . 71.54 108.94 178.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.1 mt . . . . . 0 N--CA 1.43 -1.441 0 N-CA-C 107.263 -1.384 . . . . 72.43 107.263 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.81 133.97 51.0 Favored 'Trans proline' 0 C--O 1.251 1.155 0 C-N-CA 122.399 2.066 . . . . 72.43 111.629 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.46 -25.51 66.06 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-N 115.639 -0.709 . . . . 75.34 110.558 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.38 -40.67 91.67 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.255 0.622 . . . . 61.33 110.054 174.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.2 t -76.04 -38.29 34.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 N-CA-C 108.904 -0.776 . . . . 70.21 108.904 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.22 -42.1 94.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 115.97 -0.559 . . . . 73.32 110.477 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.04 -47.01 72.67 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.983 -0.553 . . . . 74.34 109.612 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.88 90.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 74.24 110.55 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.7 -56.24 21.32 Favored 'General case' 0 C--O 1.194 -1.829 0 C-N-CA 123.595 0.758 . . . . 74.45 109.619 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -72.38 -12.18 61.01 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.342 0.867 . . . . 63.14 113.342 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.64 -30.33 24.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.433 -0.349 . . . . 73.24 110.63 175.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.18 -36.57 10.41 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 122.429 1.109 . . . . 72.12 109.442 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m . . . . . 1 N--CA 1.377 -4.091 0 CA-C-N 113.119 -1.855 . . . . 74.21 108.978 -173.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.441 -0.893 0 N-CA-C 109.721 -0.474 . . . . 75.23 109.721 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.66 92.86 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.726 -0.67 . . . . 72.33 111.535 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.421 ' HB ' HD11 ' A' ' 100' ' ' ILE . 77.5 mt -67.92 -36.53 75.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.944 -0.391 . . . . 73.52 109.944 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -67.47 -37.67 83.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.87 0.322 . . . . 72.15 111.87 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.9 mt-10 -63.1 -44.22 96.31 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.664 -0.495 . . . . 72.04 109.664 174.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -62.83 -43.72 98.05 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 115.639 -0.71 . . . . 74.43 109.215 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.84 0.856 . . . . 71.14 110.734 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -69.19 -33.96 74.17 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.558 -0.292 . . . . 75.3 111.559 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -62.95 -39.93 96.14 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.56 0.695 . . . . 64.2 111.002 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.3 -26.86 22.06 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.205 -0.907 . . . . 74.54 112.893 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.23 28.83 3.94 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.401 -0.905 . . . . 72.33 113.539 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 . . . . . 0 C--N 1.309 -1.154 0 N-CA-C 109.636 -0.505 . . . . 73.21 109.636 179.308 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.421 HD11 ' HB ' ' A' ' 83' ' ' ILE . 14.7 mt . . . . . 0 N--CA 1.439 -0.987 0 N-CA-C 112.907 0.706 . . . . 70.14 112.907 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.54 145.82 48.12 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 122.393 2.062 . . . . 73.51 110.56 173.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.69 58.67 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 123.865 0.866 . . . . 73.21 110.807 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.39 -41.72 94.42 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.557 0.694 . . . . 64.43 110.679 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.87 -37.16 27.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.14 -0.689 . . . . 74.14 109.14 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.97 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 CA-C-N 115.964 -0.562 . . . . 75.02 110.155 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.2 -51.83 53.89 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.604 -0.726 . . . . 75.52 109.317 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.23 87.41 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.256 -0.884 . . . . 71.2 110.826 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -56.25 -56.96 14.59 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 115.927 -0.579 . . . . 74.31 110.19 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -70.61 -15.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.699 0.629 . . . . 73.52 112.699 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.84 -28.22 33.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.489 -0.323 . . . . 73.41 110.725 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.93 -27.38 13.62 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 122.148 0.975 . . . . 73.32 110.057 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.2 m . . . . . 1 N--CA 1.375 -4.184 0 CA-C-N 113.926 -1.488 . . . . 74.24 109.691 -172.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 109.385 -0.598 . . . . 64.03 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.54 83.2 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 116.009 -0.541 . . . . 75.51 111.325 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.5 mt -66.11 -39.65 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.431 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -68.32 -42.18 79.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.633 0.234 . . . . 74.24 111.633 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.49 -41.34 97.13 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 111.554 0.205 . . . . 71.12 111.554 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.419 ' O ' ' HB2' ' A' ' 89' ' ' ARG . 66.4 t90 -64.67 -41.45 96.07 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 109.167 -0.679 . . . . 75.13 109.167 177.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 92' ' ' HIS . . . -56.59 -51.41 68.75 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.078 -0.964 . . . . 71.11 109.919 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -65.85 -30.75 71.41 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.751 -0.659 . . . . 74.44 112.443 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 86' ' ' TRP . 16.9 mmt85 -61.54 -44.7 96.58 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.557 0.694 . . . . 75.32 109.168 172.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -90.08 -7.87 52.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 114.269 1.211 . . . . 73.22 114.269 -174.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.3 4.34 50.29 Favored Glycine 0 C--N 1.306 -1.096 0 C-N-CA 120.589 -0.815 . . . . 74.22 113.673 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.429 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . 72.8 m-70 . . . . . 0 C--N 1.3 -1.547 0 N-CA-C 107.578 -1.268 . . . . 72.15 107.578 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 109.547 -0.538 . . . . 71.04 109.547 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.71 131.84 48.07 Favored 'Trans proline' 0 C--O 1.247 0.97 0 C-N-CA 122.492 2.128 . . . . 74.02 111.439 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.58 67.54 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.22 0.608 . . . . 71.13 110.488 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.91 -41.65 92.16 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.646 -0.501 . . . . 64.44 109.646 175.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.86 -41.17 61.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.418 -0.586 . . . . 74.44 109.418 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.63 -45.31 98.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.708 -0.678 . . . . 74.23 110.482 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.7 -44.57 77.39 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.791 -0.641 . . . . 73.22 109.797 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.87 93.74 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.299 -0.864 . . . . 74.0 110.588 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -57.33 -56.55 20.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 123.532 0.733 . . . . 74.31 110.323 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -68.67 -17.36 64.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.333 0.864 . . . . 74.3 113.333 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.18 -35.6 16.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.832 0.348 . . . . 75.14 111.601 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.31 9.02 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 112.886 0.699 . . . . 60.34 112.886 -174.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.421 -1.889 0 N-CA-C 109.325 -0.62 . . . . 70.44 109.325 -174.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 110.613 -0.143 . . . . 75.12 110.613 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.48 99.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 O-C-N 123.244 0.34 . . . . 63.32 111.176 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.07 -43.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 109.345 -0.613 . . . . 74.23 109.345 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 54.8 mtp180 -63.82 -43.12 97.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 75.32 111.814 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 48.2 mt-10 -66.04 -39.76 90.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.667 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -63.15 -43.33 98.64 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.594 -0.891 . . . . 75.02 108.594 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.2 83.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.185 -0.916 . . . . 71.34 110.373 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 39.2 mmt180 -59.86 -44.33 94.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 71.43 110.616 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 99.5 mtt180 -63.47 -38.32 90.67 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.629 0.728 . . . . 74.43 112.025 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -90.08 -10.7 43.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.152 -0.931 . . . . 73.14 112.804 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.04 34.65 9.62 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.283 -0.96 . . . . 61.52 112.45 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--N 1.304 -1.395 0 N-CA-C 109.598 -0.519 . . . . 71.44 109.598 177.882 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.427 -1.595 0 N-CA-C 108.13 -1.063 . . . . 74.43 108.13 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.67 136.56 54.53 Favored 'Trans proline' 0 C--O 1.254 1.313 0 C-N-CA 122.267 1.978 . . . . 75.33 111.341 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -29.42 65.49 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.997 0.919 . . . . 74.34 110.657 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.8 -43.86 94.24 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 124.023 0.827 . . . . 72.11 109.759 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.99 -40.79 59.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 114.996 -1.002 . . . . 74.42 109.054 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.63 -40.3 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.744 -0.662 . . . . 74.32 110.247 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.33 -49.19 67.81 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.546 -0.752 . . . . 75.04 109.908 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.4 98.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.106 -0.952 . . . . 55.44 110.459 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -57.02 -54.09 50.69 Favored 'General case' 0 C--O 1.198 -1.61 0 CA-C-N 115.598 -0.728 . . . . 72.52 109.827 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.33 -22.02 62.85 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.618 0.97 . . . . 74.01 113.618 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.03 39.33 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.768 -0.196 . . . . 75.0 111.363 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.6 -31.47 10.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 122.036 0.922 . . . . 74.2 110.566 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.391 -3.394 0 CA-C-N 114.564 -1.198 . . . . 74.0 111.108 -169.734 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 120.909 0.385 . . . . 70.35 109.983 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.73 94.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.561 -0.745 . . . . 73.42 111.704 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.02 -42.0 93.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.141 -0.689 . . . . 75.32 109.141 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -63.41 -44.77 93.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.002 -0.544 . . . . 73.41 111.111 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.44 -45.26 94.32 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.293 0.371 . . . . 74.51 111.049 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.78 -42.14 99.56 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.27 -0.641 . . . . 72.41 109.27 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.45 81.66 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.525 -0.761 . . . . 74.4 110.186 177.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -68.16 -27.18 66.2 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 111.881 0.326 . . . . 75.54 111.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -71.89 -36.36 70.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.846 0.355 . . . . 75.33 110.909 174.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -90.43 -19.74 23.56 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.535 0.568 . . . . 74.44 112.535 -176.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.52 30.42 6.55 Favored Glycine 0 N--CA 1.439 -1.137 0 C-N-CA 121.136 -0.554 . . . . 63.22 112.551 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 . . . . . 0 C--N 1.311 -1.108 0 N-CA-C 108.471 -0.937 . . . . 71.44 108.471 176.607 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 109.709 -0.478 . . . . 72.32 109.709 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.5 130.74 36.93 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 122.783 2.322 . . . . 72.03 112.096 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -32.89 51.73 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 123.78 0.832 . . . . 71.11 111.307 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -45.82 78.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.178 0.591 . . . . 75.12 110.686 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.22 -33.54 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-N 115.994 -0.548 . . . . 74.32 109.576 -178.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.3 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.64 -40.1 76.71 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 110.085 -0.339 . . . . 75.54 110.085 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.57 95.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 72.01 110.177 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -60.05 -55.78 29.72 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.346 0.659 . . . . 72.03 110.634 177.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -67.06 -22.11 65.87 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 112.713 0.635 . . . . 74.4 112.713 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.4 20.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.725 0.298 . . . . 74.23 110.42 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.71 36.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.585 0.587 . . . . 62.11 112.585 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 118.572 -0.728 . . . . 72.34 110.29 -177.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 111.98 0.363 . . . . 74.3 111.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 t -107.8 102.37 11.59 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 109.851 -0.425 . . . . 75.34 109.851 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.87 136.55 3.58 Favored Glycine 0 N--CA 1.435 -1.399 0 CA-C-N 115.911 -0.586 . . . . 44.12 111.978 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m -106.98 2.64 25.32 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.564 0.697 . . . . 75.54 109.952 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.2 -117.04 5.74 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 115.883 -0.598 . . . . 75.44 112.432 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 60.99 84.49 0.13 Allowed 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 125.144 1.378 . . . . 72.03 113.064 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.54 -27.78 21.31 Favored Glycine 0 N--CA 1.427 -1.96 0 C-N-CA 119.298 -1.43 . . . . 71.22 110.695 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -96.5 143.99 27.01 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 112.54 0.57 . . . . 74.41 112.54 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.1 -149.63 14.7 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 110.099 -1.201 . . . . 52.21 110.099 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.46 -153.21 0.37 Allowed 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 117.358 0.579 . . . . 74.34 109.928 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mt -102.29 79.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 CA-C-O 122.6 1.19 . . . . 74.53 108.682 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -98.36 -21.82 16.41 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-N 112.672 -2.058 . . . . 75.44 109.239 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -112.99 -169.39 1.47 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.231 -1.025 . . . . 71.24 108.231 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.93 139.98 55.1 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 120.275 -0.57 . . . . 72.24 111.089 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.465 ' O ' HG13 ' A' ' 83' ' ' ILE . 84.9 mt-30 -57.28 -48.53 78.66 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.207 0.942 . . . . 73.33 110.39 -176.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 m -58.58 -45.93 88.0 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.772 -0.649 . . . . 72.32 111.204 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.56 95.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.255 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.13 87.21 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.495 -0.775 . . . . 64.03 111.25 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 79' ' ' GLN . 72.7 mt -64.64 -38.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.53 110.609 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -65.26 -43.42 91.34 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.746 -0.206 . . . . 73.04 111.326 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 60.6 mt-10 -63.98 -39.5 94.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.398 -0.521 . . . . 70.15 111.056 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -63.21 -44.7 94.57 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 108.789 -0.819 . . . . 74.31 108.789 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.06 -48.37 76.17 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 114.862 -1.063 . . . . 74.55 109.948 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -64.39 -39.08 93.15 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.86 0.318 . . . . 74.4 111.86 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 64.8 mtt180 -66.84 -27.73 67.77 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.993 0.425 . . . . 73.45 111.64 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -94.9 -12.87 26.06 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.562 0.578 . . . . 73.33 112.562 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.69 23.04 22.17 Favored Glycine 0 C--N 1.312 -0.764 0 C-N-CA 120.945 -0.645 . . . . 74.02 113.482 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -92.2 131.0 37.78 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.557 -0.905 . . . . 75.13 108.557 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -85.95 87.15 7.37 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.721 0.772 . . . . 72.52 111.551 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.7 t -105.11 99.3 8.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.465 -0.939 . . . . 74.32 108.465 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.7 t -168.64 -53.68 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.749 -0.834 . . . . 75.1 108.749 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.7 p -67.42 -30.51 70.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 114.002 1.112 . . . . 61.24 114.002 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -72.83 -15.91 61.61 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.224 0.453 . . . . 71.43 112.224 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.49 7.98 65.68 Favored Glycine 0 N--CA 1.464 0.565 0 CA-C-O 121.208 0.338 . . . . 65.11 112.414 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -154.12 161.29 41.99 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 104.984 -2.228 . . . . 73.13 104.984 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.1 mt -88.45 124.74 65.46 Favored Pre-proline 0 C--N 1.292 -1.927 0 N-CA-C 107.409 -1.33 . . . . 74.34 107.409 174.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.22 133.57 47.43 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 121.887 1.725 . . . . 71.2 110.985 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.15 -30.44 59.84 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 123.598 0.759 . . . . 74.13 111.036 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.67 -39.22 93.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.1 -0.954 . . . . 74.3 110.739 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -74.35 -37.97 46.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 108.794 -0.817 . . . . 65.35 108.794 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.91 -41.12 91.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.736 -0.666 . . . . 64.41 110.118 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.6 -48.55 69.2 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.97 -0.752 . . . . 74.34 108.97 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.53 87.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.076 -0.965 . . . . 61.15 110.316 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -54.87 -57.44 11.58 Favored 'General case' 0 C--O 1.201 -1.455 0 CA-C-N 115.89 -0.596 . . . . 73.51 110.249 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -68.16 -18.46 64.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.125 0.787 . . . . 73.24 113.125 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.01 30.83 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.368 -0.378 . . . . 75.2 111.371 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.89 -28.19 13.94 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 122.346 1.07 . . . . 64.33 109.543 -175.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.9 m . . . . . 0 N--CA 1.383 -3.787 0 CA-C-N 113.769 -1.559 . . . . 72.15 108.871 -172.491 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.407 0 CA-C-O 120.837 0.351 . . . . 73.35 110.82 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.0 m -123.08 -6.46 8.37 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.639 0.733 . . . . 75.14 109.69 176.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.32 -164.18 14.28 Favored Glycine 0 N--CA 1.425 -2.06 0 N-CA-C 109.55 -1.42 . . . . 71.24 109.55 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 m -121.13 -43.73 2.42 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 109.512 -0.551 . . . . 71.4 109.512 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.49 -157.39 50.74 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 110.533 -1.027 . . . . 70.44 110.533 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.88 -42.87 60.1 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.033 0.444 . . . . 74.3 110.814 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.57 99.88 0.64 Allowed Glycine 0 N--CA 1.428 -1.875 0 C-N-CA 120.299 -0.953 . . . . 73.2 111.274 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 65.62 -153.21 0.26 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 124.234 1.013 . . . . 73.04 110.371 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.38 -13.6 51.3 Favored Glycine 0 CA--C 1.498 -1.022 0 N-CA-C 108.152 -1.979 . . . . 73.54 108.152 -174.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.64 165.71 3.76 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 102.98 -2.97 . . . . 71.32 102.98 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 68.1 mt -94.59 128.27 45.96 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.99 0 N-CA-C 108.547 -0.908 . . . . 74.53 108.547 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.29 -35.38 21.53 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.704 -0.68 . . . . 73.0 110.914 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -82.93 173.41 11.83 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.917 -1.142 . . . . 74.33 107.917 175.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.37 130.77 44.32 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 106.906 -1.516 . . . . 75.14 106.906 169.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.574 ' O ' HG13 ' A' ' 83' ' ' ILE . 81.0 mt-30 -58.62 -41.82 86.81 Favored 'General case' 0 C--O 1.202 -1.401 0 O-C-N 123.937 0.773 . . . . 73.41 109.153 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -60.29 -45.57 92.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.869 -0.605 . . . . 74.12 110.317 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.93 -44.67 80.06 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.837 -0.62 . . . . 72.54 109.914 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.59 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.757 -0.656 . . . . 72.24 111.458 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 79' ' ' GLN . 80.2 mt -66.5 -43.12 91.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.505 -0.554 . . . . 73.54 109.505 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -61.6 -43.25 99.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.611 -0.268 . . . . 74.23 111.567 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 57.7 mt-10 -59.54 -49.47 77.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.422 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -60.3 -44.81 95.08 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.085 0.554 . . . . 74.2 109.716 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.9 82.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.429 -0.805 . . . . 75.4 110.649 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -74.64 -21.59 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.652 0.612 . . . . 74.1 112.652 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 34.8 mmt180 -79.54 -30.45 41.77 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.37 -0.532 . . . . 74.01 109.646 175.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -94.87 -17.07 22.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.156 1.169 . . . . 73.34 114.156 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.81 19.58 10.17 Favored Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.03 -1.081 . . . . 72.0 113.92 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -91.99 131.37 37.33 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.907 -0.775 . . . . 74.0 108.907 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -86.32 105.55 16.75 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.271 -0.422 . . . . 70.12 109.998 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.17 128.6 51.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 N-CA-C 109.475 -0.565 . . . . 74.4 109.475 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 t -87.98 119.72 28.62 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 115.757 -0.656 . . . . 71.14 111.131 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.75 -18.29 58.56 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 123.678 0.791 . . . . 74.24 110.598 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -90.22 -8.06 52.02 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 120.879 0.371 . . . . 73.22 111.47 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.37 -106.38 2.29 Favored Glycine 0 N--CA 1.44 -1.079 0 C-N-CA 120.755 -0.736 . . . . 54.14 111.267 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 100' ' ' ILE . 31.8 ttt180 -152.49 160.17 43.27 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 105.771 -1.937 . . . . 75.11 105.771 178.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.408 ' N ' ' HG2' ' A' ' 99' ' ' ARG . 52.5 mt -65.78 123.76 85.66 Favored Pre-proline 0 N--CA 1.435 -1.209 0 N-CA-C 106.616 -1.624 . . . . 65.44 106.616 172.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -59.24 132.29 45.9 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.02 1.813 . . . . 74.32 111.544 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.69 -30.63 65.64 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 123.817 0.847 . . . . 72.44 110.392 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.14 -40.3 95.47 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.704 1.202 . . . . 74.4 110.516 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.33 -41.28 50.41 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 108.899 -0.778 . . . . 71.44 108.899 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.403 -0.817 . . . . 74.52 109.737 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.19 -46.01 82.49 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.094 -0.957 . . . . 74.21 109.639 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.25 86.41 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.057 -0.974 . . . . 70.31 110.261 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.426 ' O ' HG22 ' A' ' 112' ' ' THR . 73.3 t80 -59.35 -56.37 22.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.542 0.737 . . . . 72.43 110.198 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.59 -24.29 67.04 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 112.335 0.495 . . . . 74.23 112.335 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.35 24.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.975 -0.557 . . . . 74.34 110.644 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.74 51.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.912 1.079 . . . . 73.42 113.912 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 108' ' ' TYR . 15.0 t . . . . . 0 N--CA 1.424 -1.761 0 C-N-CA 119.147 -1.021 . . . . 71.34 111.064 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 ttt . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.717 0.294 . . . . 72.11 111.364 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 m -132.28 104.28 6.67 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 109.036 -0.727 . . . . 72.14 109.036 -174.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.13 -61.52 4.68 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.775 -0.93 . . . . 71.31 110.775 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.7 m -92.05 150.98 20.67 Favored 'General case' 0 N--CA 1.424 -1.764 0 N-CA-C 109.388 -0.597 . . . . 73.21 109.388 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.63 60.93 2.38 Favored Glycine 0 N--CA 1.435 -1.399 0 N-CA-C 111.561 -0.616 . . . . 44.13 111.561 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -83.85 -27.33 28.78 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.045 0.45 . . . . 72.22 111.771 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.05 70.5 0.29 Allowed Glycine 0 N--CA 1.423 -2.173 0 C-N-CA 119.801 -1.19 . . . . 74.43 112.606 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -75.85 83.34 2.78 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.88 -66.46 3.9 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.424 -1.07 . . . . 72.32 110.424 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.7 -174.38 4.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.732 -0.84 . . . . 73.05 108.732 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.455 HG21 ' H ' ' A' ' 77' ' ' ARG . 4.4 mp -82.02 139.76 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.834 0 N-CA-C 108.223 -1.028 . . . . 75.22 108.223 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.39 -31.76 71.35 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.563 0.697 . . . . 74.42 111.423 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.455 ' H ' HG21 ' A' ' 75' ' ' ILE . 10.4 mmt85 -113.03 172.62 6.83 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.213 -0.903 . . . . 72.44 109.694 -176.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -73.18 146.1 45.83 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 105.696 -1.964 . . . . 73.2 105.696 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' O ' HG13 ' A' ' 83' ' ' ILE . 9.7 mm-40 -55.46 -46.96 76.78 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 113.387 0.884 . . . . 75.22 113.387 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -58.87 -41.63 87.56 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.944 0.402 . . . . 62.54 111.288 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.8 -43.79 74.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.221 -0.445 . . . . 75.01 109.811 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.91 92.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.481 -0.781 . . . . 60.24 110.875 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 79' ' ' GLN . 72.6 mt -64.25 -42.1 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 O-C-N 123.364 0.415 . . . . 73.24 110.347 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -60.8 -46.74 89.33 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.955 0.407 . . . . 74.34 111.049 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 43.4 mt-10 -65.16 -42.52 93.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.989 -0.55 . . . . 72.23 111.458 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.44 -42.9 97.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.924 -0.769 . . . . 74.14 108.924 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.37 -52.17 66.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.436 -0.802 . . . . 74.04 110.045 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -60.24 -40.81 91.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.616 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 82.4 mtt180 -69.65 -26.63 64.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.795 0.665 . . . . 74.44 112.795 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -89.63 -29.52 18.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.315 -0.402 . . . . 73.51 111.529 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.25 24.95 4.28 Favored Glycine 0 C--N 1.314 -0.683 0 C-N-CA 120.67 -0.776 . . . . 75.44 113.043 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -99.5 124.38 44.61 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 107.315 -1.365 . . . . 74.02 107.315 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -89.7 93.07 9.32 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 122.004 0.906 . . . . 75.32 112.284 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.0 t -95.13 129.82 44.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 CA-C-N 114.427 -1.261 . . . . 75.01 108.256 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -93.46 160.25 14.88 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.029 -0.73 . . . . 71.12 109.029 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 p -89.97 4.52 49.86 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 121.492 0.663 . . . . 74.31 110.302 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -105.98 100.45 9.99 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 115.464 -0.789 . . . . 74.33 110.56 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.93 -113.4 1.95 Allowed Glycine 0 N--CA 1.419 -2.455 0 CA-C-N 114.971 -1.013 . . . . 72.35 110.646 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -143.14 174.78 10.4 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.852 -0.796 . . . . 74.15 108.852 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.9 mt -87.07 127.98 57.42 Favored Pre-proline 0 N--CA 1.425 -1.717 0 N-CA-C 105.645 -1.983 . . . . 73.22 105.645 172.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -60.15 128.6 26.95 Favored 'Trans proline' 0 C--O 1.245 0.867 0 C-N-CA 122.597 2.198 . . . . 75.52 112.023 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -27.19 65.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 61.23 111.849 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.63 -40.69 95.93 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.588 -0.523 . . . . 74.35 109.588 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.78 -39.22 68.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.776 -0.824 . . . . 74.22 108.776 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.58 -41.88 91.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.847 -0.615 . . . . 63.12 110.258 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.12 -46.23 74.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.894 -0.594 . . . . 72.13 110.084 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.93 91.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.399 -0.819 . . . . 73.15 110.18 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.414 ' CG ' HG12 ' A' ' 83' ' ' ILE . 58.5 t80 -54.64 -59.0 5.3 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.634 -0.712 . . . . 74.23 109.989 176.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -69.13 -17.29 63.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.546 0.573 . . . . 75.34 112.546 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.03 31.53 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 122.294 -0.254 . . . . 55.42 110.866 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.9 -42.59 9.96 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 122.419 1.104 . . . . 74.14 108.532 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 46.5 m . . . . . 1 N--CA 1.378 -4.062 0 CA-C-N 112.869 -1.969 . . . . 70.25 109.227 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 CA--C 1.518 -0.272 0 N-CA-C 108.466 -0.939 . . . . 74.34 108.466 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.2 m -69.29 114.79 7.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.02 0.438 . . . . 75.3 111.466 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.98 41.54 0.04 OUTLIER Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.409 -0.814 . . . . 61.2 111.468 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 m -106.62 158.04 17.24 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.277 -0.638 . . . . 72.35 109.277 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.1 56.3 4.96 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 121.531 -0.366 . . . . 71.12 113.535 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -134.4 18.41 3.66 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.617 -0.883 . . . . 74.12 108.617 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.03 113.17 3.61 Favored Glycine 0 N--CA 1.438 -1.19 0 CA-C-N 115.396 -0.82 . . . . 54.2 112.889 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -122.04 83.82 2.16 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 122.147 0.975 . . . . 75.11 109.179 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.58 103.95 0.58 Allowed Glycine 0 C--N 1.28 -2.55 0 N-CA-C 107.993 -2.043 . . . . 54.11 107.993 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.44 149.22 43.27 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.774 0.797 . . . . 54.11 111.723 -176.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.5 mt -81.09 93.88 2.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 114.438 -1.256 . . . . 72.41 107.76 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.44 -51.41 63.28 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.626 -1.624 . . . . 73.33 110.454 -175.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -115.32 139.4 50.01 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.491 -1.67 . . . . 65.23 106.491 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.73 140.22 24.35 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 124.152 0.908 . . . . 73.21 111.923 -175.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.518 ' O ' HG13 ' A' ' 83' ' ' ILE . 54.7 mt-30 -61.55 -32.92 73.01 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 109.11 -0.7 . . . . 71.41 109.11 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 7.3 m -58.1 -47.18 84.02 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.568 -0.742 . . . . 71.32 110.315 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.28 77.96 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.724 -0.473 . . . . 74.23 109.724 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.79 91.43 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.722 -0.672 . . . . 72.22 111.198 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 79' ' ' GLN . 71.8 mt -66.31 -44.38 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.919 -0.4 . . . . 74.34 109.919 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 80' ' ' SER . 52.1 mtt180 -62.26 -40.95 97.9 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.256 -0.429 . . . . 72.54 111.265 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.6 mt-10 -66.34 -39.68 89.35 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.832 0.678 . . . . 74.32 112.832 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -63.81 -43.0 97.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.167 -1.049 . . . . 75.33 108.167 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 92' ' ' HIS . . . -57.52 -45.35 85.11 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.559 -1.201 . . . . 73.14 110.574 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -69.7 -30.6 68.27 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.287 -0.415 . . . . 75.54 112.073 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.9 mmt-85 -69.82 -38.63 76.64 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.226 -0.59 . . . . 73.23 109.665 176.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.42 -12.36 40.46 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.458 0.91 . . . . 75.02 113.458 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.11 35.01 6.87 Favored Glycine 0 C--N 1.313 -0.737 0 C-N-CA 120.862 -0.685 . . . . 51.23 114.284 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . 39.9 m-70 -94.58 145.92 24.48 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 117.321 0.56 . . . . 74.42 109.669 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -88.13 94.39 9.8 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.958 -0.565 . . . . 74.4 109.593 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.2 t -106.79 124.41 62.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 116.056 -0.52 . . . . 63.22 110.187 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 t -65.27 132.21 48.48 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 115.538 -0.756 . . . . 75.4 109.598 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.6 p -78.17 -35.53 48.63 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 108.728 -0.842 . . . . 71.42 108.728 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -87.35 110.29 20.14 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.745 -1.116 . . . . 73.33 108.972 176.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.11 -157.47 14.92 Favored Glycine 0 C--N 1.289 -2.043 0 C-N-CA 120.342 -0.932 . . . . 73.22 111.92 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -91.91 172.68 8.29 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.469 0.652 . . . . 74.23 111.88 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt -90.81 133.8 31.67 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 107.365 -1.346 . . . . 73.05 107.365 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.07 128.54 30.63 Favored 'Trans proline' 0 C--O 1.261 1.626 0 C-N-CA 122.118 1.879 . . . . 70.42 111.492 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.55 -28.26 44.48 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.712 0.805 . . . . 74.43 112.219 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.31 -37.17 77.65 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 120.523 0.201 . . . . 71.12 110.808 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.3 t -70.73 -38.79 74.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 N-CA-C 108.427 -0.953 . . . . 75.53 108.427 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.77 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.199 -0.909 . . . . 74.23 109.825 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.33 -47.53 76.19 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.497 -0.774 . . . . 65.4 109.541 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.39 93.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.04 -0.982 . . . . 75.0 110.807 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.488 ' CD1' HG12 ' A' ' 83' ' ' ILE . 92.4 t80 -59.73 -53.29 59.68 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 123.074 0.55 . . . . 74.53 110.086 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -72.55 -13.89 61.51 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.8 0.667 . . . . 72.03 112.8 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.89 -50.5 11.11 Favored 'General case' 0 N--CA 1.433 -1.293 0 N-CA-C 108.68 -0.859 . . . . 75.31 108.68 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.87 64.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.337 -0.847 . . . . 74.43 111.94 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.421 -1.918 0 CA-C-O 117.689 -1.148 . . . . 74.34 110.195 -178.12 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 C--O 1.243 0.734 0 CA-C-O 121.242 0.544 . . . . 74.35 109.606 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 m -139.25 160.27 40.21 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.231 -0.895 . . . . 73.11 108.955 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.87 -124.08 7.38 Favored Glycine 0 N--CA 1.439 -1.141 0 C-N-CA 121.275 -0.488 . . . . 74.24 112.578 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -65.58 -43.08 90.89 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.379 0.609 . . . . 71.53 109.863 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.43 102.86 2.24 Favored Glycine 0 N--CA 1.417 -2.597 0 CA-C-N 115.28 -0.873 . . . . 74.13 111.426 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -120.63 138.47 53.9 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 106.924 -1.51 . . . . 74.51 106.924 174.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.56 113.63 3.88 Favored Glycine 0 N--CA 1.422 -2.293 0 N-CA-C 110.721 -0.952 . . . . 73.23 110.721 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -73.9 -39.18 64.06 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.643 -0.873 . . . . 75.04 108.643 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.21 -79.56 0.03 OUTLIER Glycine 0 N--CA 1.428 -1.899 0 CA-C-N 114.988 -1.006 . . . . 73.23 110.828 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.79 164.08 13.13 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.123 0.487 . . . . 74.01 110.826 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.4 mt -80.45 131.1 34.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 115.15 -0.932 . . . . 74.45 109.158 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.46 ' OD1' ' HG3' ' A' ' 77' ' ' ARG . 19.5 t70 -83.52 -60.21 2.2 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.96 -0.564 . . . . 60.04 110.77 -173.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG3' ' OD1' ' A' ' 76' ' ' ASP . 72.2 mtt180 -117.32 148.82 41.37 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 120.954 0.407 . . . . 72.35 111.926 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 59.25 52.34 6.13 Favored 'General case' 0 C--O 1.254 1.322 0 C-N-CA 125.252 1.421 . . . . 72.21 114.339 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.588 ' O ' HG13 ' A' ' 83' ' ' ILE . 71.8 mt-30 -61.14 -34.04 74.36 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.826 -0.624 . . . . 75.23 110.757 175.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.5 m -59.18 -45.95 89.68 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 123.314 0.384 . . . . 65.34 110.087 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.12 99.02 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.646 -0.502 . . . . 74.32 109.646 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.81 81.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.748 -0.66 . . . . 71.51 111.339 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 79' ' ' GLN . 71.3 mt -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.792 -0.447 . . . . 74.52 109.792 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -62.72 -44.09 97.12 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.777 -0.647 . . . . 75.25 110.28 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 69.3 mm-40 -59.43 -49.55 77.36 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.107 -0.951 . . . . 71.02 110.338 175.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.6 -43.23 84.52 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.652 0.781 . . . . 75.51 109.599 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -54.04 50.6 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.147 -0.933 . . . . 73.12 110.641 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -60.12 -38.17 82.22 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.995 -0.548 . . . . 74.41 111.839 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 72.6 mtt180 -71.57 -27.67 63.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.12 -0.491 . . . . 74.23 112.116 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.95 -15.19 25.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.609 0.596 . . . . 74.44 112.609 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 23.05 10.89 Favored Glycine 0 C--N 1.309 -0.947 0 C-N-CA 120.609 -0.805 . . . . 64.0 113.21 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -91.95 129.7 37.86 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 107.52 -1.289 . . . . 75.11 107.52 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -81.15 88.05 6.03 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 122.125 0.964 . . . . 65.13 112.891 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.31 131.82 69.98 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 105.514 -2.032 . . . . 75.14 105.514 172.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.4 t -85.4 148.21 26.12 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-O 121.285 0.564 . . . . 72.54 110.524 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.2 p -74.37 -12.19 60.45 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 115.379 -0.828 . . . . 64.44 109.405 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -110.83 8.99 22.52 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.16 -0.927 . . . . 71.23 109.463 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.49 169.7 15.73 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.825 -0.702 . . . . 60.24 111.725 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -89.31 161.6 16.28 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.899 -0.778 . . . . 72.32 108.899 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.94 128.76 59.07 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 111.278 0.103 . . . . 75.14 111.278 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -73.91 141.39 30.06 Favored 'Trans proline' 0 C--O 1.261 1.641 0 C-N-CA 122.295 1.997 . . . . 73.02 110.622 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.07 -29.51 63.52 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.621 0.768 . . . . 75.03 111.764 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.49 -40.36 94.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.116 0.484 . . . . 74.34 110.563 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.83 -35.76 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.777 -0.647 . . . . 63.32 109.601 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.74 -40.68 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.588 0.709 . . . . 73.33 109.5 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.19 -51.62 62.9 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.031 -0.986 . . . . 75.23 110.425 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.59 95.37 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.215 -0.902 . . . . 52.31 110.255 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.413 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.2 t80 -53.9 -54.49 38.04 Favored 'General case' 0 C--O 1.196 -1.724 0 CA-C-N 115.713 -0.676 . . . . 70.31 110.408 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.98 -22.22 62.21 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.954 0.724 . . . . 74.51 112.954 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.29 49.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.427 -0.351 . . . . 63.21 110.938 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.77 -41.78 5.81 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 122.236 1.017 . . . . 73.33 110.025 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.4 m . . . . . 0 N--CA 1.387 -3.599 0 CA-C-N 113.554 -1.657 . . . . 74.31 110.141 -172.593 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.639 0.257 . . . . 74.2 110.706 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -119.18 101.17 7.8 Favored 'General case' 0 N--CA 1.41 -2.436 0 CA-C-O 121.237 0.541 . . . . 65.31 109.57 -175.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.33 85.63 0.39 Allowed Glycine 0 N--CA 1.421 -2.302 0 N-CA-C 109.954 -1.258 . . . . 64.4 109.954 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.6 m -147.07 3.46 0.8 Allowed 'General case' 0 C--N 1.304 -1.37 0 O-C-N 122.552 -0.381 . . . . 71.15 110.927 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.21 98.16 1.14 Allowed Glycine 0 N--CA 1.434 -1.486 0 CA-C-N 115.947 -0.569 . . . . 74.33 111.802 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -111.92 -61.66 1.68 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.9 0.35 . . . . 74.25 110.354 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.42 -36.96 89.79 Favored Glycine 0 CA--C 1.507 -0.454 0 N-CA-C 111.312 -0.715 . . . . 74.13 111.312 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -143.17 -176.2 4.83 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 106.825 -1.546 . . . . 75.12 106.825 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.66 44.12 2.26 Favored Glycine 0 C--N 1.306 -1.107 0 N-CA-C 109.277 -1.529 . . . . 73.31 109.277 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.01 164.04 12.28 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 123.349 0.66 . . . . 74.31 109.515 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.0 mt -92.63 139.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 108.571 -0.9 . . . . 73.44 108.571 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.3 -46.57 89.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.267 0.556 . . . . 61.54 110.482 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.16 -178.43 3.74 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.817 -0.629 . . . . 75.44 109.311 175.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 154.65 41.08 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 120.784 0.326 . . . . 71.31 111.412 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.475 ' O ' HG13 ' A' ' 83' ' ' ILE . 74.0 mt-30 -57.69 -47.6 81.9 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.634 -1.247 . . . . 73.23 107.634 174.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 m -59.02 -41.04 86.82 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 114.034 -1.439 . . . . 74.51 110.435 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.41 84.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.971 -0.558 . . . . 71.34 110.548 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.73 92.22 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.921 -0.581 . . . . 74.32 110.819 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 79' ' ' GLN . 72.9 mt -66.19 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.424 -0.584 . . . . 73.24 109.424 177.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -63.75 -38.54 91.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 73.44 111.36 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 45.4 mt-10 -63.19 -45.34 92.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.373 -0.376 . . . . 73.1 110.595 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.01 -44.31 97.6 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.839 -0.8 . . . . 74.5 108.839 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.69 -51.04 68.63 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.175 -0.921 . . . . 75.32 109.701 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HG2' ' A' ' 85' ' ' GLU . 49.6 mtm180 -61.35 -38.78 88.16 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.925 -0.58 . . . . 73.3 112.418 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 16.2 mmt180 -66.64 -38.41 86.83 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.895 0.378 . . . . 75.32 110.897 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -90.73 -9.31 47.14 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 113.065 0.765 . . . . 74.41 113.065 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.33 30.93 8.75 Favored Glycine 0 C--N 1.312 -0.77 0 C-N-CA 120.646 -0.788 . . . . 62.12 113.261 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -99.14 121.87 41.6 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 107.193 -1.41 . . . . 74.32 107.193 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -81.9 79.62 8.39 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 121.498 0.666 . . . . 64.3 110.979 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.0 t -102.63 94.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 115.231 -0.895 . . . . 74.13 109.021 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.4 t 175.79 -19.35 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.305 1.042 . . . . 75.02 109.102 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 p -64.0 -33.33 75.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.505 0.669 . . . . 72.45 111.188 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -131.43 129.98 41.94 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.745 -1.946 . . . . 71.01 105.745 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.23 43.48 0.54 Allowed Glycine 0 CA--C 1.531 1.08 0 N-CA-C 118.498 2.159 . . . . 74.33 118.498 -167.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -151.83 160.11 43.66 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 123.511 0.724 . . . . 73.42 109.096 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt -91.42 122.19 66.37 Favored Pre-proline 0 C--N 1.298 -1.663 0 N-CA-C 109.216 -0.661 . . . . 75.25 109.216 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -64.37 134.04 40.13 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.529 2.153 . . . . 74.2 111.574 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.4 -27.65 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.341 0.657 . . . . 75.24 111.002 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -41.52 98.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.954 -0.566 . . . . 73.43 110.539 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.5 t -74.73 -36.95 41.76 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 N-CA-C 109.357 -0.609 . . . . 74.24 109.357 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 77.8 mt -64.02 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.943 -0.572 . . . . 74.33 110.172 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.1 -40.19 71.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.983 -0.553 . . . . 73.11 110.154 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.41 96.05 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-N 115.992 -0.549 . . . . 55.23 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.404 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 70.2 t80 -53.96 -57.29 11.56 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.959 -1.018 . . . . 75.23 109.474 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -67.31 -22.57 65.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.339 0.866 . . . . 72.21 113.339 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.91 -20.97 34.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.736 -0.211 . . . . 72.12 111.424 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.2 -40.23 7.67 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.569 1.176 . . . . 74.44 109.503 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 1 N--CA 1.374 -4.237 0 CA-C-N 113.105 -1.862 . . . . 71.52 110.091 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 C--O 1.238 0.483 0 CA-C-O 119.695 -0.193 . . . . 74.21 111.514 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.5 m 63.29 179.96 0.15 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.966 0.906 . . . . 74.12 111.538 -176.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.15 47.68 0.25 Allowed Glycine 0 C--N 1.312 -0.795 0 C-N-CA 120.099 -1.048 . . . . 63.44 111.48 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m -86.65 -10.69 53.27 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 120.95 0.405 . . . . 64.23 111.522 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -86.0 73.35 2.56 Favored Glycine 0 N--CA 1.432 -1.61 0 N-CA-C 110.448 -1.061 . . . . 63.04 110.448 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -83.14 107.69 15.88 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.421 0.629 . . . . 75.03 111.76 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.36 110.82 1.93 Allowed Glycine 0 N--CA 1.426 -2.013 0 N-CA-C 107.194 -2.362 . . . . 72.03 107.194 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -114.19 -53.86 2.63 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 120.17 -0.612 . . . . 73.41 111.308 -173.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 107.56 -45.97 1.23 Allowed Glycine 0 C--N 1.307 -1.046 0 N-CA-C 108.911 -1.675 . . . . 70.11 108.911 -173.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.17 168.65 15.58 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.608 -0.886 . . . . 64.13 108.608 173.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.6 mt -104.65 116.47 48.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.013 0 CA-C-O 121.564 0.697 . . . . 75.55 111.386 -174.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -114.52 -46.28 2.97 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 114.466 -1.243 . . . . 71.35 107.683 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -106.72 168.58 9.08 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.153 -1.425 . . . . 73.4 107.153 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -71.05 141.37 50.91 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 120.75 -0.38 . . . . 73.13 111.278 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.514 ' O ' HG13 ' A' ' 83' ' ' ILE . 57.5 mt-30 -64.4 -38.09 89.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.94 -0.763 . . . . 75.3 108.94 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -62.67 -39.09 92.82 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.938 -0.574 . . . . 75.35 109.869 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -64.72 -46.11 83.69 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.712 -0.676 . . . . 62.42 109.485 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.76 89.56 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 123.782 0.676 . . . . 73.55 111.145 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.1 mt -62.56 -42.58 96.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 110.202 -0.296 . . . . 74.34 110.202 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -60.77 -46.02 92.08 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.023 0.439 . . . . 73.02 110.861 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 8.9 mm-40 -60.87 -48.98 79.32 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.16 -0.927 . . . . 73.44 110.014 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -60.0 -43.59 95.09 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.17 0.588 . . . . 75.24 109.64 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.07 81.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.658 -0.701 . . . . 61.1 110.421 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -74.66 -24.63 58.84 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.291 0.848 . . . . 74.41 113.291 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.4 mmt180 -71.76 -37.57 70.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.089 -0.708 . . . . 73.35 109.089 174.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -89.85 -21.4 22.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.833 1.049 . . . . 73.54 113.833 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.08 24.6 6.49 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.912 -1.137 . . . . 64.11 113.652 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -94.16 143.8 26.06 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 107.459 -1.312 . . . . 71.24 107.459 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -93.43 113.34 25.47 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.063 0.459 . . . . 74.2 110.117 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.0 t -86.08 144.66 9.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 106.87 -1.53 . . . . 61.31 106.87 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.541 ' HB3' ' O ' ' A' ' 99' ' ' ARG . 45.3 t -65.14 127.22 30.75 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-O 121.36 0.6 . . . . 70.45 111.649 -176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -6.84 50.11 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.004 0.921 . . . . 74.24 109.896 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -77.97 -15.97 58.53 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.278 -0.874 . . . . 71.33 109.284 175.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.24 37.37 4.36 Favored Glycine 0 N--CA 1.433 -1.529 0 C-N-CA 120.708 -0.758 . . . . 71.51 111.987 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.541 ' O ' ' HB3' ' A' ' 95' ' ' SER . 62.2 ttt180 -130.63 133.92 46.54 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.456 -0.942 . . . . 73.15 108.456 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.1 mt -91.91 122.83 64.63 Favored Pre-proline 0 C--N 1.285 -2.227 0 N-CA-C 107.919 -1.141 . . . . 74.22 107.919 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -63.39 130.94 30.02 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 121.758 1.638 . . . . 71.14 111.08 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.36 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.373 0.669 . . . . 65.44 110.492 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.45 -41.95 90.87 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.515 -0.766 . . . . 65.23 109.583 175.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.77 -38.51 44.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-N 115.589 -0.732 . . . . 71.24 109.279 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.77 -42.57 92.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 116.039 -0.528 . . . . 73.32 110.162 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.63 -47.81 71.43 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 115.926 -0.579 . . . . 63.25 109.685 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.85 82.12 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.171 0.919 . . . . 73.2 110.555 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -54.54 -59.39 4.77 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 123.695 0.798 . . . . 74.15 110.335 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -67.29 -19.7 65.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.513 0.931 . . . . 71.22 113.513 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.72 -27.35 29.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.446 -0.343 . . . . 53.12 111.361 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.99 -29.19 13.43 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 122.207 1.003 . . . . 71.2 109.892 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.384 -3.729 0 CA-C-N 113.748 -1.569 . . . . 74.04 109.48 -172.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 109.837 -0.431 . . . . 75.22 109.837 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.7 t -84.32 83.73 7.88 Favored 'General case' 0 N--CA 1.432 -1.325 0 N-CA-C 108.488 -0.93 . . . . 71.33 108.488 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.96 -7.68 67.98 Favored Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.812 -0.915 . . . . 72.12 110.812 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.7 m -131.03 157.43 43.05 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 107.693 -1.225 . . . . 73.02 107.693 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.09 76.49 0.11 Allowed Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.28 -0.962 . . . . 73.13 112.122 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -59.53 107.27 0.56 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.583 0.706 . . . . 74.53 109.605 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.52 -31.8 1.51 Allowed Glycine 0 C--N 1.292 -1.903 0 N-CA-C 107.596 -2.202 . . . . 75.22 107.596 -174.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -93.59 98.26 11.04 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 114.517 -0.842 . . . . 73.32 109.208 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.42 32.44 1.75 Allowed Glycine 0 N--CA 1.434 -1.457 0 N-CA-C 110.52 -1.032 . . . . 72.25 110.52 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.88 -178.88 3.78 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.011 -0.737 . . . . 74.13 109.011 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 77' ' ' ARG . 15.3 mt -89.46 81.68 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-O 122.688 1.232 . . . . 71.43 108.802 -174.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.8 -29.7 67.06 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 113.279 -1.782 . . . . 64.45 111.462 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 75' ' ' ILE . 99.1 mtt180 -125.11 -165.62 1.43 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.914 -1.143 . . . . 72.51 107.914 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -76.67 150.59 36.35 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.379 -0.971 . . . . 75.44 108.379 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.547 ' O ' HG13 ' A' ' 83' ' ' ILE . 14.8 mm-40 -68.88 -36.96 78.7 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.285 -0.635 . . . . 75.21 109.285 176.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -61.97 -39.31 91.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.277 -0.874 . . . . 74.52 109.669 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . -66.87 -39.44 87.54 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.267 -0.642 . . . . 74.0 109.267 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.94 97.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.915 -0.584 . . . . 74.02 110.687 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.5 mt -60.37 -44.2 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.312 -0.625 . . . . 75.33 109.312 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.69 -45.11 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.348 -0.842 . . . . 73.12 111.782 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 34.6 mt-10 -69.43 -37.41 77.41 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.023 -0.535 . . . . 74.24 111.366 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -64.0 -42.79 97.05 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 108.53 -0.915 . . . . 74.21 108.53 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.55 75.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.596 -1.184 . . . . 73.42 110.629 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -69.59 -27.31 65.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.825 0.676 . . . . 73.31 112.825 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -70.93 -33.63 70.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.229 0.538 . . . . 75.11 111.359 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.65 -17.2 30.54 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.602 0.593 . . . . 72.13 112.602 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 12.43 33.91 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.907 -0.664 . . . . 73.44 113.695 175.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -73.02 147.04 45.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 117.086 0.443 . . . . 54.04 109.859 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -91.75 88.04 6.52 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.835 -0.802 . . . . 72.31 108.835 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.3 t -109.16 112.4 40.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 CA-C-N 115.89 -0.596 . . . . 72.1 109.661 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.2 t -75.56 139.42 42.11 Favored 'General case' 0 N--CA 1.409 -2.481 0 N-CA-C 108.759 -0.83 . . . . 52.23 108.759 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 p -78.85 -11.78 60.0 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-O 121.73 0.776 . . . . 75.52 109.891 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -96.53 120.71 37.34 Favored 'General case' 0 N--CA 1.422 -1.856 0 N-CA-C 107.663 -1.236 . . . . 75.32 107.663 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' C ' ' HD2' ' A' ' 99' ' ' ARG . . . 102.51 -136.54 12.88 Favored Glycine 0 N--CA 1.425 -2.044 0 N-CA-C 110.714 -0.954 . . . . 51.03 110.714 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.44 ' HD2' ' C ' ' A' ' 98' ' ' GLY . 3.9 mpt_? -123.86 166.82 14.99 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.811 0.305 . . . . 71.55 110.538 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.77 132.55 54.22 Favored Pre-proline 0 C--N 1.312 -1.024 0 N-CA-C 109.16 -0.681 . . . . 75.31 109.16 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.62 134.4 47.37 Favored 'Trans proline' 0 C--O 1.253 1.257 0 C-N-CA 122.4 2.066 . . . . 74.14 112.084 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.25 68.66 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.642 0.777 . . . . 73.55 110.529 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -38.23 85.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.208 -0.451 . . . . 62.24 110.688 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.58 -39.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.249 -0.649 . . . . 64.33 109.249 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.78 -45.55 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.833 -0.621 . . . . 72.14 110.3 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.888 -0.596 . . . . 61.5 110.086 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.37 91.12 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.315 -0.857 . . . . 74.24 110.149 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 112' ' ' THR . 86.6 t80 -58.29 -56.34 23.29 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.468 0.707 . . . . 72.35 110.44 177.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -67.08 -19.05 65.59 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 113.011 0.745 . . . . 71.43 113.011 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.15 -41.7 13.57 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.752 0.311 . . . . 73.45 111.166 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.62 -46.26 22.64 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 113.507 0.929 . . . . 74.32 113.507 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 108' ' ' TYR . 10.5 t . . . . . 0 N--CA 1.429 -1.504 0 C-N-CA 120.002 -0.679 . . . . 75.53 109.346 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.507 -0.706 0 N-CA-C 108.429 -0.952 . . . . 62.43 108.429 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.1 m -150.0 110.58 4.25 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.067 0.46 . . . . 74.41 110.691 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.64 119.46 6.25 Favored Glycine 0 N--CA 1.426 -2.024 0 N-CA-C 109.957 -1.257 . . . . 54.4 109.957 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.0 p -146.06 -75.5 0.21 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 109.222 -0.659 . . . . 65.24 109.222 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.57 115.25 0.57 Allowed Glycine 0 N--CA 1.41 -3.096 0 CA-C-N 115.537 -0.756 . . . . 65.14 111.655 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -102.92 144.3 31.39 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.116 -1.438 . . . . 74.42 107.116 176.738 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.87 -83.76 0.05 OUTLIER Glycine 0 CA--C 1.492 -1.377 0 C-N-CA 119.895 -1.145 . . . . 75.02 112.967 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 72.56 117.07 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 124.205 1.002 . . . . 75.13 113.598 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.43 -51.95 4.47 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.948 -1.024 . . . . 65.33 114.189 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.47 168.86 8.88 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.476 0.655 . . . . 74.43 111.314 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 60.5 mt -99.02 141.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-N 114.975 -1.011 . . . . 72.24 108.492 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.48 -46.83 81.36 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 123.976 0.797 . . . . 62.31 111.977 -176.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -131.22 -156.39 0.75 Allowed 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.343 -0.614 . . . . 74.04 109.343 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -56.35 145.77 26.17 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.663 0.785 . . . . 64.2 110.218 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.455 ' O ' HG13 ' A' ' 83' ' ' ILE . 49.5 mt-30 -54.86 -60.02 3.94 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 123.805 0.691 . . . . 71.25 111.163 -178.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 m -61.31 -37.44 83.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.785 -0.643 . . . . 71.23 111.37 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.2 85.67 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.375 -0.375 . . . . 73.43 110.404 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.17 85.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.033 -0.53 . . . . 70.14 111.287 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.4 mt -65.26 -43.07 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 109.399 -0.593 . . . . 72.21 109.399 177.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 34.8 mtp180 -62.08 -48.07 81.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.358 -0.837 . . . . 75.23 111.382 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -72.84 -28.3 62.45 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.849 -0.614 . . . . 74.44 112.229 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.9 -40.91 95.83 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 107.896 -1.15 . . . . 74.24 107.896 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 84' ' ' ARG . . . -59.58 -43.76 93.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.976 -1.011 . . . . 63.32 109.754 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 1.1 mmp_? -62.22 -45.3 93.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.37 -0.377 . . . . 73.52 110.365 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -59.9 -35.58 75.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.66 0.743 . . . . 74.14 110.541 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -95.29 -9.49 32.93 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 114.128 1.158 . . . . 70.1 114.128 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.55 35.37 10.51 Favored Glycine 0 C--N 1.312 -0.773 0 C-N-CA 119.982 -1.104 . . . . 73.13 112.54 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -99.24 159.89 14.67 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.933 -0.766 . . . . 72.54 108.933 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -113.7 107.26 15.52 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.462 0.649 . . . . 63.12 111.49 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.22 130.37 71.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.94 -1.133 . . . . 64.11 107.94 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.6 t -73.79 137.06 43.66 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 123.392 0.433 . . . . 64.43 110.04 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 p -89.98 -6.29 55.8 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-O 121.424 0.63 . . . . 64.2 109.796 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -86.01 -52.56 5.62 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.263 -0.643 . . . . 75.13 109.263 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.84 -145.43 11.44 Favored Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.415 -0.812 . . . . 60.22 112.013 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -99.72 -178.53 3.9 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.702 -0.481 . . . . 73.41 109.702 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -90.58 125.87 58.06 Favored Pre-proline 0 N--CA 1.422 -1.873 0 N-CA-C 107.691 -1.225 . . . . 74.51 107.691 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.46 134.33 57.7 Favored 'Trans proline' 0 C--O 1.252 1.19 0 C-N-CA 122.238 1.959 . . . . 73.13 111.059 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.44 62.57 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 115.672 -0.694 . . . . 63.21 110.969 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -61.61 -39.9 92.91 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.475 -0.329 . . . . 72.24 110.447 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.9 t -75.71 -39.84 39.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 N-CA-C 109.369 -0.604 . . . . 64.51 109.369 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.81 -43.4 97.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.385 0.612 . . . . 75.11 109.904 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.33 -45.7 79.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.381 -0.827 . . . . 73.21 110.033 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.67 91.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.286 -0.87 . . . . 74.51 110.479 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.72 -57.22 13.71 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.917 0.887 . . . . 74.52 110.023 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -66.12 -23.64 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.159 0.429 . . . . 71.24 112.159 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.19 -30.93 43.66 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 122.328 -0.232 . . . . 71.42 110.893 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.72 -51.07 6.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.454 0.538 . . . . 62.3 112.454 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.256 1.407 0 N-CA-C 109.106 -0.702 . . . . 65.54 109.106 -178.559 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.8 mtt . . . . . 0 CA--C 1.5 -0.964 0 CA-C-O 121.188 0.518 . . . . 71.11 110.204 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.3 m -150.54 145.46 25.97 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.188 -1.412 . . . . 71.22 107.188 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.43 77.99 1.96 Allowed Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 120.452 -0.88 . . . . 71.04 111.225 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.0 p -60.56 -57.32 13.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.557 0.694 . . . . 71.42 110.014 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -162.07 137.71 5.01 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 108.69 -1.764 . . . . 54.14 108.69 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -84.24 -68.27 0.73 Allowed 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.175 0.512 . . . . 75.12 109.743 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.18 -155.57 49.21 Favored Glycine 0 N--CA 1.43 -1.702 0 N-CA-C 110.871 -0.891 . . . . 75.22 110.871 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -89.12 -31.91 17.77 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 106.889 -1.523 . . . . 74.24 106.889 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.45 -131.36 10.62 Favored Glycine 0 N--CA 1.413 -2.897 0 N-CA-C 108.302 -1.919 . . . . 63.53 108.302 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.27 158.48 44.12 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 107.634 -1.247 . . . . 73.2 107.634 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.6 mt -83.87 94.55 3.51 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 N-CA-C 107.187 -1.412 . . . . 71.13 107.187 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.6 -45.94 9.98 Favored 'General case' 0 C--N 1.279 -2.493 0 CA-C-N 114.272 -1.331 . . . . 71.5 110.173 -175.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -94.94 177.33 5.93 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.049 -1.093 . . . . 74.33 108.049 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.18 151.0 28.21 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 110.146 -0.316 . . . . 75.13 110.146 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.571 ' O ' HG13 ' A' ' 83' ' ' ILE . 71.8 mt-30 -68.39 -28.59 67.24 Favored 'General case' 0 C--O 1.208 -1.085 0 C-N-CA 120.073 -0.651 . . . . 74.51 109.318 177.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m -62.44 -39.45 93.41 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.642 -0.708 . . . . 71.11 109.657 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.01 -37.67 81.71 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.04 -0.726 . . . . 74.44 109.04 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.76 88.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 74.34 110.754 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.4 mt -64.41 -42.56 95.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.379 -0.6 . . . . 71.41 109.379 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -59.39 -46.43 88.71 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.928 -0.578 . . . . 71.22 110.897 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.1 mm-40 -59.13 -50.24 74.81 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.76 -0.654 . . . . 74.21 111.244 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.1 -42.92 95.72 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 123.38 0.672 . . . . 71.22 109.932 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.39 -50.23 72.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.592 -0.731 . . . . 74.53 109.772 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.24 -37.22 86.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.833 -0.622 . . . . 74.13 112.285 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.3 mmt180 -65.86 -36.21 82.81 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.246 0.546 . . . . 71.51 110.313 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -91.59 -12.81 33.26 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 112.957 0.725 . . . . 74.12 112.957 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.72 24.44 17.92 Favored Glycine 0 C--N 1.307 -1.028 0 C-N-CA 120.825 -0.703 . . . . 64.43 113.205 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -84.56 121.8 28.13 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.106 -1.072 . . . . 64.41 108.106 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -77.65 94.6 4.43 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 108.941 -0.762 . . . . 75.33 108.941 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.27 120.89 61.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 116.164 -0.471 . . . . 70.23 109.767 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.6 t -81.08 122.19 27.03 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 108.231 -1.026 . . . . 74.31 108.231 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.0 p -81.28 -9.02 59.84 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-O 121.921 0.867 . . . . 72.21 110.557 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.0 mtt85 -88.7 72.93 8.6 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.838 -1.074 . . . . 71.24 108.244 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.14 -116.35 0.75 Allowed Glycine 0 N--CA 1.425 -2.05 0 C-N-CA 120.595 -0.812 . . . . 50.12 112.502 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -128.81 157.37 41.69 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 122.649 0.38 . . . . 75.12 110.157 -175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.5 mt -87.06 123.83 69.58 Favored Pre-proline 0 N--CA 1.432 -1.365 0 N-CA-C 107.005 -1.479 . . . . 74.33 107.005 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.46 130.66 36.63 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.492 2.128 . . . . 73.33 112.679 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.55 -29.8 66.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.626 0.771 . . . . 71.24 110.696 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.66 -41.24 97.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.807 -0.633 . . . . 53.43 109.826 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.22 -36.93 44.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 115.65 -0.705 . . . . 73.34 109.121 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.5 -45.46 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.575 . . . . 71.41 109.969 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.63 -42.37 91.58 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.047 -0.524 . . . . 65.24 109.79 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.79 95.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.227 -0.897 . . . . 54.23 110.296 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.43 ' CD2' HG12 ' A' ' 83' ' ' ILE . 85.6 t80 -59.62 -55.77 30.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.847 0.859 . . . . 74.22 109.887 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -69.95 -13.99 62.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.82 0.674 . . . . 75.23 112.82 -178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.41 -32.98 19.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.793 0.33 . . . . 74.53 110.703 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.1 -46.05 13.25 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 112.376 0.509 . . . . 54.34 112.376 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.426 -1.674 0 CA-C-O 118.152 -0.928 . . . . 70.23 111.005 -177.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.647 0.261 . . . . 73.01 110.702 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.2 t -178.77 138.41 0.16 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.763 1.225 . . . . 73.14 107.852 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.44 -6.53 33.94 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 119.975 -1.107 . . . . 73.21 112.946 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -78.82 94.62 5.19 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.437 0.637 . . . . 74.42 109.935 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.76 56.95 0.02 OUTLIER Glycine 0 N--CA 1.429 -1.794 0 N-CA-C 110.948 -0.861 . . . . 75.2 110.948 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -71.85 130.82 41.98 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 108.601 -0.889 . . . . 73.42 108.601 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 149.99 172.79 19.73 Favored Glycine 0 N--CA 1.429 -1.796 0 N-CA-C 110.516 -1.034 . . . . 71.52 110.516 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -85.21 73.33 10.62 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 122.382 1.087 . . . . 72.12 111.022 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.71 -43.29 0.03 OUTLIER Glycine 0 N--CA 1.425 -2.04 0 N-CA-C 107.629 -2.188 . . . . 72.44 107.629 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.56 136.28 47.39 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 107.506 -1.294 . . . . 63.52 107.506 171.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.34 137.6 21.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 N-CA-C 109.411 -0.589 . . . . 72.12 109.411 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.88 -35.88 82.57 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.266 -0.879 . . . . 73.42 111.661 -176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -140.19 -164.67 1.75 Allowed 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.312 -1.366 . . . . 74.44 107.312 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -76.35 144.92 39.83 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.997 -1.853 . . . . 71.15 105.997 170.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.474 ' O ' HG13 ' A' ' 83' ' ' ILE . 19.5 mp0 -50.71 -59.98 3.52 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.49 0.662 . . . . 72.43 110.983 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.3 m -63.21 -34.63 78.08 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.277 -0.874 . . . . 73.42 111.957 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -67.97 -36.64 80.4 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 110.044 -0.354 . . . . 75.13 110.044 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.03 84.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.796 -0.638 . . . . 63.33 110.005 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 79' ' ' GLN . 58.0 mt -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 109.321 -0.622 . . . . 73.44 109.321 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 57.8 mtp180 -61.91 -41.93 98.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.764 -0.653 . . . . 75.35 111.198 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.642 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 38.7 mm-40 -60.06 -49.66 76.79 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 122.667 0.387 . . . . 71.45 110.314 176.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.08 -44.04 91.84 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 123.403 0.681 . . . . 75.03 109.222 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . -58.83 -41.85 87.84 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.317 -0.856 . . . . 72.1 110.694 178.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 36.6 mmt180 -65.96 -36.87 84.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.024 -0.534 . . . . 73.43 111.214 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.3 mmt180 -72.0 -40.16 68.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.264 0.554 . . . . 73.42 110.483 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -82.44 -20.35 37.16 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.587 -0.733 . . . . 75.21 112.436 -177.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.88 42.54 3.29 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.192 -1.004 . . . . 74.23 113.353 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . 66.1 m-70 -98.23 150.05 21.92 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.333 -0.617 . . . . 75.52 109.333 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.61 83.7 2.47 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.813 0.816 . . . . 74.21 109.34 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.5 t -89.57 -17.65 8.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 115.172 -0.922 . . . . 71.12 109.876 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 t 71.64 161.94 0.24 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.194 0.998 . . . . 64.41 111.391 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -12.2 60.44 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.534 0.683 . . . . 72.03 109.968 176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -127.47 -176.31 3.71 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.998 -0.742 . . . . 74.2 108.998 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.09 -170.59 52.95 Favored Glycine 0 N--CA 1.435 -1.429 0 O-C-N 123.554 0.533 . . . . 74.31 112.536 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -99.28 173.87 6.57 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.609 -0.885 . . . . 75.51 108.609 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.4 mt -90.02 124.89 62.28 Favored Pre-proline 0 C--N 1.293 -1.87 0 N-CA-C 107.246 -1.39 . . . . 75.24 107.246 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.44 136.64 60.3 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 122.014 1.809 . . . . 74.14 111.721 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -26.8 66.3 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 123.442 0.697 . . . . 74.3 110.359 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.34 -39.52 94.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.994 -0.548 . . . . 75.04 110.405 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.51 -40.77 63.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.433 -0.951 . . . . 74.31 108.433 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.84 -40.67 89.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.425 -0.807 . . . . 61.54 110.188 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.69 -50.23 65.64 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.687 -0.688 . . . . 74.04 109.314 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.79 89.81 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.233 -0.894 . . . . 62.15 110.523 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -55.5 -54.87 38.54 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.883 0.873 . . . . 74.31 109.97 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.54 -14.32 60.4 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.976 0.732 . . . . 73.55 112.976 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.7 -15.75 27.97 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 122.258 -0.276 . . . . 51.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.7 -41.68 6.81 Favored 'General case' 0 CA--C 1.479 -1.781 0 CA-C-O 122.199 0.999 . . . . 63.33 108.633 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.383 -3.81 0 CA-C-N 113.251 -1.795 . . . . 74.31 109.497 -174.326 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 C--O 1.239 0.531 0 CA-C-O 120.828 0.347 . . . . 75.35 110.111 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.6 t -144.29 161.31 39.25 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.996 -1.483 . . . . 74.14 106.996 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.49 65.74 0.01 OUTLIER Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 120.383 -0.913 . . . . 74.35 111.179 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -75.63 141.21 42.86 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 120.712 0.291 . . . . 70.32 110.637 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.09 -177.03 14.67 Favored Glycine 0 N--CA 1.435 -1.429 0 C-N-CA 120.133 -1.032 . . . . 65.11 112.512 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? 63.51 84.57 0.15 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 125.032 1.333 . . . . 75.3 110.747 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.28 -119.19 5.98 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.907 -1.277 . . . . 55.53 109.907 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 63.1 25.29 14.86 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.125 0.97 . . . . 75.54 111.217 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.49 -26.89 41.17 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.139 -1.184 . . . . 74.43 110.139 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.0 165.06 13.39 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 114.581 -0.81 . . . . 71.42 109.174 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.6 mt -85.52 113.23 23.48 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 N-CA-C 108.137 -1.06 . . . . 75.23 108.137 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -72.58 -40.73 66.38 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 115.198 -0.91 . . . . 54.42 111.873 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -113.68 -167.08 1.15 Allowed 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.587 -0.733 . . . . 75.55 109.839 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.4 149.28 38.86 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.286 -1.005 . . . . 74.34 108.286 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.589 ' O ' HG13 ' A' ' 83' ' ' ILE . 52.9 mt-30 -56.18 -49.43 74.05 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.504 -0.924 . . . . 72.55 108.504 175.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -55.84 -48.72 74.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.006 -0.997 . . . . 62.04 111.007 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.47 97.86 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.007 -0.542 . . . . 74.0 110.619 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.37 85.6 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.795 -0.639 . . . . 60.23 111.148 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 79' ' ' GLN . 73.6 mt -64.79 -44.75 96.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.507 -0.553 . . . . 62.23 109.507 176.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -60.86 -41.69 96.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.943 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.52 -42.28 87.5 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 73.15 111.583 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -64.64 -43.11 94.71 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.07 -0.715 . . . . 75.44 109.07 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.53 69.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.375 -0.83 . . . . 75.02 110.047 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -61.66 -40.51 95.2 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.839 -0.618 . . . . 74.02 112.459 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -71.04 -28.54 64.45 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.368 0.507 . . . . 70.02 112.368 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -94.3 -11.2 30.58 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.704 0.631 . . . . 73.43 112.704 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.68 24.44 20.76 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.671 -0.776 . . . . 70.11 113.496 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -83.99 144.31 29.22 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.292 -0.633 . . . . 72.32 109.292 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -81.54 82.0 7.46 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.0 0.905 . . . . 51.25 111.961 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.3 t -130.51 109.11 16.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.138 -1.801 . . . . 75.42 106.138 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -92.29 -174.09 3.62 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 115.991 -0.55 . . . . 61.2 110.167 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.2 p -90.32 20.08 4.7 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 113.336 0.865 . . . . 74.4 113.336 -173.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -71.89 -46.39 57.95 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.997 -0.681 . . . . 74.53 110.923 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.58 -42.04 0.86 Allowed Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 119.393 -1.384 . . . . 62.42 113.419 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.1 mtt-85 -83.95 121.35 27.25 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 119.689 -0.804 . . . . 74.25 112.705 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.8 mt -92.73 130.58 36.31 Favored Pre-proline 0 C--N 1.295 -1.798 0 CA-C-N 114.475 -1.239 . . . . 73.52 108.753 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.4 131.36 24.59 Favored 'Trans proline' 0 C--O 1.251 1.173 0 C-N-CA 121.702 1.601 . . . . 72.23 110.393 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.74 -22.57 65.5 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 122.921 0.488 . . . . 73.13 111.549 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.99 -39.5 94.26 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.716 -0.846 . . . . 75.02 108.716 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.44 -37.68 30.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-N 115.413 -0.812 . . . . 51.25 108.823 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.08 -46.24 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.905 -0.588 . . . . 75.03 110.06 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.33 -44.27 75.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.051 -0.522 . . . . 61.33 110.207 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.09 84.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.847 -0.615 . . . . 74.45 110.072 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.99 -56.85 15.74 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.079 0.952 . . . . 60.2 110.782 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -67.44 -23.73 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.606 0.595 . . . . 72.13 112.606 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.3 -20.24 28.68 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.099 0.476 . . . . 75.2 111.057 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.46 -49.34 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.348 0.869 . . . . 73.24 113.348 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.251 1.174 0 C-N-CA 120.373 -0.531 . . . . 73.14 110.758 -173.806 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 CA--C 1.495 -1.165 0 CA-C-O 120.874 0.369 . . . . 72.45 110.653 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -147.91 144.0 27.76 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 108.235 -1.024 . . . . 73.52 108.235 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.51 -60.2 0.2 Allowed Glycine 0 N--CA 1.435 -1.368 0 N-CA-C 111.296 -0.721 . . . . 74.45 111.296 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 m -122.02 122.73 39.98 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.189 0.519 . . . . 75.2 110.063 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.54 68.23 0.22 Allowed Glycine 0 CA--C 1.479 -2.173 0 N-CA-C 107.457 -2.257 . . . . 63.23 107.457 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 72.88 -172.41 0.14 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.803 0.841 . . . . 75.45 108.765 -172.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.87 30.29 52.34 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 109.36 -1.496 . . . . 74.04 109.36 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -127.69 17.09 6.92 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.085 -1.057 . . . . 74.24 108.985 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.01 26.62 3.47 Favored Glycine 0 C--N 1.308 -0.994 0 N-CA-C 109.767 -1.333 . . . . 75.42 109.767 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.76 123.41 4.6 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 107.565 -1.272 . . . . 51.15 107.565 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mt -93.95 94.92 4.83 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.559 0 CA-C-O 122.86 1.315 . . . . 75.31 112.66 -168.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -124.03 0.42 8.5 Favored 'General case' 0 C--N 1.267 -2.979 0 CA-C-N 112.562 -2.108 . . . . 74.4 105.849 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.4 HH21 ' CD ' ' A' ' 85' ' ' GLU . 35.9 mtp85 -139.58 148.07 42.02 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 103.001 -2.963 . . . . 73.04 103.001 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.84 144.02 55.51 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 112.934 0.716 . . . . 75.44 112.934 -172.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.541 ' O ' HG13 ' A' ' 83' ' ' ILE . 77.3 mt-30 -52.51 -49.45 64.77 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.01 0.924 . . . . 73.54 110.873 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t -55.6 -49.14 73.58 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.784 0.434 . . . . 73.11 110.522 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.22 89.66 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.399 -0.364 . . . . 74.11 110.609 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.19 93.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 71.2 111.173 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.2 mt -66.31 -43.49 91.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.287 -0.634 . . . . 75.21 109.287 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.408 ' NH2' HG23 ' A' ' 96' ' ' THR . 11.9 mtp180 -59.57 -44.57 93.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.683 -0.69 . . . . 73.32 111.234 177.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' CD ' HH21 ' A' ' 77' ' ' ARG . 56.3 mt-10 -68.28 -37.75 81.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.614 -0.721 . . . . 72.43 111.317 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -63.35 -41.26 98.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.272 -1.01 . . . . 64.44 108.272 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.86 87.12 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.1 -0.954 . . . . 51.24 110.583 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -64.1 -43.08 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.941 -0.304 . . . . 74.23 111.125 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -60.26 -37.33 80.08 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.162 0.585 . . . . 74.24 111.226 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -89.16 -21.92 23.08 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.032 0.753 . . . . 74.02 113.032 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.58 35.09 4.48 Favored Glycine 0 C--N 1.315 -0.598 0 C-N-CA 120.794 -0.717 . . . . 75.41 113.204 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -95.5 164.39 12.82 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 122.511 -0.405 . . . . 74.55 109.986 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -98.35 100.38 11.65 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.622 -0.881 . . . . 72.05 108.622 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.0 t -141.69 -51.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 109.052 -0.722 . . . . 73.41 109.052 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t 63.41 -162.27 0.28 Allowed 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 114.982 -1.008 . . . . 73.33 109.492 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.408 HG23 ' NH2' ' A' ' 84' ' ' ARG . 4.6 p -109.08 17.94 21.13 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 121.376 0.608 . . . . 75.13 110.605 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -125.93 113.64 17.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.78 -0.645 . . . . 73.03 109.904 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.31 -175.05 18.02 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.831 -0.699 . . . . 61.21 111.486 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -99.5 145.91 26.95 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.402 -0.962 . . . . 65.45 108.402 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 mt -70.02 130.22 90.06 Favored Pre-proline 0 C--N 1.302 -1.493 0 C-N-CA 122.787 0.435 . . . . 74.43 111.251 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.11 133.79 42.75 Favored 'Trans proline' 0 C--O 1.257 1.43 0 C-N-CA 122.357 2.038 . . . . 75.14 110.804 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.21 63.1 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.443 0.697 . . . . 74.33 112.283 -177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -64.12 -42.66 96.76 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.158 -0.682 . . . . 74.01 109.158 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.2 t -72.54 -39.5 61.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.282 -0.872 . . . . 74.12 108.724 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 68.5 mt -59.57 -45.54 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.604 . . . . 73.52 110.941 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.79 -43.51 83.74 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 120.764 -0.374 . . . . 74.4 110.01 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.66 86.38 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.882 -0.599 . . . . 75.34 110.617 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.445 ' CD2' HG12 ' A' ' 83' ' ' ILE . 74.1 t80 -59.19 -58.49 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.01 0.924 . . . . 75.01 110.606 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -66.18 -18.57 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.08 0.4 . . . . 71.32 112.08 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.74 26.22 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 73.44 110.677 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.74 -33.99 21.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.01 0.744 . . . . 75.05 113.01 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.43 -1.455 0 C-N-CA 120.215 -0.594 . . . . 74.23 110.537 -178.591 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 CA--C 1.512 -0.506 0 N-CA-C 107.756 -1.201 . . . . 75.24 107.756 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.6 m 70.82 89.44 0.1 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.017 0.913 . . . . 61.33 111.048 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.68 64.31 4.31 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 114.647 -1.161 . . . . 73.31 112.708 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.2 m -66.32 123.78 20.89 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 108.945 -0.761 . . . . 75.11 108.945 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.41 -86.56 1.78 Allowed Glycine 0 N--CA 1.427 -1.933 0 N-CA-C 110.31 -1.116 . . . . 63.12 110.31 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 54.37 82.1 0.09 Allowed 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.402 1.081 . . . . 75.24 113.237 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.09 -157.6 8.22 Favored Glycine 0 N--CA 1.422 -2.282 0 N-CA-C 110.265 -1.134 . . . . 74.01 110.265 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -88.77 115.38 26.27 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 120.741 0.305 . . . . 65.11 110.547 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.29 60.94 4.77 Favored Glycine 0 C--N 1.312 -0.798 0 N-CA-C 109.476 -1.45 . . . . 51.41 109.476 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.81 -172.11 3.92 Favored 'General case' 0 N--CA 1.426 -1.647 0 C-N-CA 124.186 0.994 . . . . 60.33 108.323 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.0 mt -101.36 151.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.956 -1.127 . . . . 70.32 107.956 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.41 161.6 7.19 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 123.368 0.417 . . . . 75.24 110.623 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -58.65 -36.26 73.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.265 0.555 . . . . 73.43 109.995 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -91.3 80.44 5.55 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-O 121.833 0.825 . . . . 75.12 109.146 171.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 53.9 mt-30 -57.45 -46.25 83.82 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.269 -1.332 . . . . 73.35 111.801 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.0 m -60.34 -40.35 90.38 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.902 -0.59 . . . . 64.04 109.86 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.7 -40.26 88.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.734 -0.666 . . . . 73.54 110.637 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.42 99.39 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.897 0.748 . . . . 65.14 110.721 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.4 mt -64.87 -45.22 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.048 178.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -58.66 -43.7 89.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.317 0.58 . . . . 71.15 110.443 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -63.41 -41.12 98.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.732 -0.667 . . . . 73.43 112.314 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -66.49 -41.31 89.14 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.162 -0.681 . . . . 73.45 109.162 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.094 -0.957 . . . . 73.14 110.52 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -69.9 -35.1 74.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.285 -0.416 . . . . 74.53 111.266 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -62.82 -38.05 89.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 121.338 0.589 . . . . 64.4 112.007 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -89.4 -30.12 18.58 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.601 -0.727 . . . . 75.55 112.671 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 45.03 1.52 Allowed Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.315 -0.945 . . . . 74.34 112.367 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -99.88 148.89 23.97 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.771 -0.826 . . . . 74.22 108.771 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -83.07 70.31 10.02 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 122.221 1.01 . . . . 71.15 111.771 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.0 t -112.41 117.07 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.004 0 CA-C-N 114.456 -1.247 . . . . 62.01 107.67 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.1 t -93.11 144.46 25.25 Favored 'General case' 0 N--CA 1.415 -2.221 0 N-CA-C 107.748 -1.205 . . . . 73.35 107.748 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -71.56 -13.07 61.67 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 116.269 -0.423 . . . . 74.01 111.131 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.15 20.19 13.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.72 -0.673 . . . . 74.03 110.234 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.71 -177.1 22.65 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 110.713 -0.955 . . . . 74.34 110.713 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -88.04 163.37 16.31 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 117.238 0.519 . . . . 75.53 111.071 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.9 mt -87.24 127.71 58.06 Favored Pre-proline 0 C--N 1.305 -1.36 0 N-CA-C 109.37 -0.604 . . . . 70.52 109.37 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.96 136.07 34.09 Favored 'Trans proline' 0 C--O 1.254 1.308 0 C-N-CA 122.11 1.874 . . . . 73.12 111.353 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.12 67.37 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 116.102 -0.499 . . . . 73.3 111.054 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.27 -42.16 85.89 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.063 -0.517 . . . . 75.01 110.479 174.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.03 -37.6 47.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.287 -0.635 . . . . 62.13 109.287 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.01 -43.88 99.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.864 -0.607 . . . . 72.41 110.303 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.54 -43.59 89.44 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 108.985 -0.746 . . . . 75.51 108.985 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.54 99.48 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.938 -1.028 . . . . 62.24 110.467 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.97 -53.69 49.36 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 123.58 0.752 . . . . 74.13 109.289 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -71.89 -18.45 62.04 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.951 0.723 . . . . 74.53 112.951 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.86 -25.05 30.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.624 -0.262 . . . . 70.34 111.341 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.47 -41.28 7.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 122.335 1.064 . . . . 73.33 109.836 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.381 -3.891 0 CA-C-N 113.479 -1.692 . . . . 74.3 109.782 -173.681 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 50.8 ttm . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 109.508 -0.553 . . . . 74.45 109.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.3 m -141.64 107.63 5.18 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 110.236 -0.283 . . . . 73.2 110.236 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -105.84 72.02 0.22 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.192 -1.563 . . . . 62.13 109.192 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m -67.1 103.4 1.18 Allowed 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 123.738 0.815 . . . . 75.54 111.214 -175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 168.73 79.42 0.04 OUTLIER Glycine 0 N--CA 1.433 -1.51 0 CA-C-N 115.312 -0.858 . . . . 61.51 111.193 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -123.09 104.15 9.02 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.374 -0.531 . . . . 74.24 112.204 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.6 -111.45 3.71 Favored Glycine 0 C--N 1.308 -0.989 0 N-CA-C 115.007 0.763 . . . . 71.31 115.007 172.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.46 162.65 28.33 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.11 0.481 . . . . 75.54 111.699 -176.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.09 -169.35 29.34 Favored Glycine 0 N--CA 1.424 -2.146 0 N-CA-C 110.687 -0.965 . . . . 44.43 110.687 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.48 174.53 6.62 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.227 -1.397 . . . . 74.32 107.227 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.6 mt -101.84 122.93 54.66 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 108.632 -0.877 . . . . 74.14 108.632 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.06 -39.9 93.94 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.863 -1.062 . . . . 74.13 110.846 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -90.23 171.5 9.45 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.969 -1.123 . . . . 74.11 107.969 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 156.92 36.41 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.893 -0.78 . . . . 72.21 108.893 170.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 83' ' ' ILE . 51.2 mt-30 -63.07 -41.95 99.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.345 -0.613 . . . . 75.14 109.345 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -60.17 -41.69 93.38 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 115.407 -0.815 . . . . 70.34 109.087 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.86 -34.8 74.07 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 116.126 -0.488 . . . . 63.13 110.741 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.85 90.18 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.939 0.4 . . . . 75.15 110.374 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.0 mt -63.01 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 N-CA-C 108.6 -0.889 . . . . 74.12 108.6 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.12 -38.39 85.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 75.53 112.042 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -56.82 -48.34 78.21 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.994 -0.743 . . . . 73.33 108.994 174.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -65.22 -43.32 91.85 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.166 -0.924 . . . . 72.31 109.869 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 92' ' ' HIS . . . -57.38 -45.37 84.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 74.42 110.087 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -64.39 -40.18 95.3 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.077 -0.51 . . . . 74.34 112.06 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -60.77 -38.23 84.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.476 0.655 . . . . 74.34 110.689 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -90.56 -11.98 38.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.587 0.958 . . . . 72.21 113.587 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.69 36.89 7.13 Favored Glycine 0 C--N 1.308 -0.997 0 C-N-CA 120.277 -0.963 . . . . 61.03 112.938 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . 49.9 m-70 -95.45 134.9 37.76 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.855 -0.794 . . . . 72.43 108.855 176.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -91.29 90.51 7.77 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.669 -0.863 . . . . 75.33 108.669 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.7 t -95.89 119.63 44.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-N 115.424 -0.807 . . . . 55.13 109.168 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.8 t -65.4 127.47 31.92 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 115.389 -0.823 . . . . 63.42 109.868 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 36.3 p -70.92 -29.67 65.78 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 121.759 0.79 . . . . 74.12 109.448 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -92.86 103.35 15.7 Favored 'General case' 0 N--CA 1.425 -1.679 0 N-CA-C 107.673 -1.232 . . . . 75.32 107.673 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.61 -168.44 21.73 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.935 -0.866 . . . . 75.14 110.935 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -108.94 145.81 34.82 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.293 -1.003 . . . . 73.12 108.293 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.22 127.48 88.14 Favored Pre-proline 0 C--N 1.321 -0.659 0 O-C-N 123.355 0.409 . . . . 72.45 110.107 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.33 137.39 80.23 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 122.513 2.142 . . . . 71.54 111.89 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.23 -27.06 63.59 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.151 -0.931 . . . . 75.14 110.77 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.58 -43.93 93.49 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 116.248 -0.433 . . . . 72.13 110.558 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.28 -41.06 57.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.92 -0.77 . . . . 74.22 108.92 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.0 -39.2 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.366 0.603 . . . . 75.2 110.526 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.8 -47.23 72.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.558 -0.746 . . . . 74.42 109.699 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.33 94.2 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.242 -0.89 . . . . 71.21 109.976 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -55.96 -55.56 31.22 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.289 1.036 . . . . 74.41 111.021 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -71.1 -25.76 62.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.659 -0.417 . . . . 71.11 112.038 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.54 71.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.067 0.461 . . . . 64.44 110.344 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.28 -48.1 8.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.707 -0.678 . . . . 64.31 112.558 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.262 1.755 0 CA-C-O 118.562 -0.732 . . . . 64.43 110.952 -177.25 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 50.6 tpp . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 107.953 -1.128 . . . . 74.22 107.953 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -151.75 84.39 1.29 Allowed 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 106.642 -1.614 . . . . 74.23 106.642 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.03 82.99 1.64 Allowed Glycine 0 N--CA 1.435 -1.405 0 CA-C-N 115.215 -0.902 . . . . 61.25 113.642 -174.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 p -126.99 -71.74 0.67 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 110.055 -0.35 . . . . 72.25 110.055 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.05 -159.81 46.31 Favored Glycine 0 N--CA 1.437 -1.252 0 N-CA-C 111.979 -0.448 . . . . 70.22 111.979 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 7.5 mpt_? -113.67 98.8 7.27 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.225 -0.657 . . . . 73.24 109.225 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.77 164.8 27.98 Favored Glycine 0 N--CA 1.421 -2.338 0 N-CA-C 109.84 -1.304 . . . . 73.23 109.84 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -69.89 -51.2 35.14 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.403 -0.962 . . . . 72.32 108.403 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.67 27.83 1.47 Allowed Glycine 0 N--CA 1.438 -1.223 0 N-CA-C 109.263 -1.535 . . . . 71.31 109.263 176.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.63 155.22 36.53 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 114.067 -1.067 . . . . 64.42 111.658 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.8 mt -94.78 104.98 16.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 CA-C-N 114.64 -1.163 . . . . 73.25 108.845 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 30.6 t70 -108.09 72.72 0.86 Allowed 'General case' 0 C--N 1.273 -2.733 0 CA-C-N 114.418 -1.265 . . . . 74.24 108.081 177.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -170.72 167.56 7.69 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 127.87 2.468 . . . . 73.11 105.3 -177.671 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.29 121.5 19.54 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 106.999 -1.482 . . . . 73.25 106.999 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.451 ' O ' HG13 ' A' ' 83' ' ' ILE . 47.4 mt-30 -55.81 -40.83 73.28 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.057 0.392 . . . . 64.15 112.057 -178.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 p -60.53 -45.89 92.17 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.495 0.664 . . . . 65.51 110.852 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.84 79.97 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 115.269 -0.878 . . . . 71.42 110.838 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.81 86.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 116.137 -0.483 . . . . 74.14 110.633 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 79' ' ' GLN . 71.1 mt -62.31 -40.95 89.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 109.183 -0.673 . . . . 74.31 109.183 176.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -61.26 -43.57 98.67 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.86 -0.609 . . . . 73.14 111.439 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 35.9 mm-40 -58.11 -46.56 85.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 122.643 0.377 . . . . 71.1 110.7 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -64.78 -42.82 94.79 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.952 -0.758 . . . . 73.12 108.952 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.27 85.84 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.224 -0.898 . . . . 74.53 110.242 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -39.51 93.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 73.24 110.441 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.5 mmt180 -62.06 -44.8 95.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.372 0.606 . . . . 75.11 110.467 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.84 -28.42 44.33 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.187 -0.915 . . . . 75.04 112.331 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.59 22.2 8.26 Favored Glycine 0 C--N 1.307 -1.039 0 C-N-CA 120.317 -0.944 . . . . 74.0 112.058 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -80.96 129.4 34.52 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.94 -0.763 . . . . 71.54 108.94 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.02 90.31 7.01 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.528 0.68 . . . . 73.24 111.776 -177.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.1 t -99.39 114.58 37.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-N 114.971 -1.013 . . . . 71.32 108.615 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 t -84.38 161.22 20.44 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.354 -0.839 . . . . 73.52 109.82 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 p -84.19 -16.34 43.74 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-O 121.603 0.716 . . . . 73.42 109.611 175.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -99.65 85.09 3.05 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.674 -0.693 . . . . 73.31 110.811 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.88 -145.21 14.35 Favored Glycine 0 N--CA 1.418 -2.509 0 CA-C-N 115.214 -0.903 . . . . 75.23 111.174 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -125.29 169.83 11.9 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 109.072 -0.714 . . . . 74.32 109.072 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.93 122.19 84.29 Favored Pre-proline 0 C--N 1.299 -1.589 0 N-CA-C 107.263 -1.384 . . . . 72.43 107.263 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.81 133.97 51.0 Favored 'Trans proline' 0 C--O 1.251 1.155 0 C-N-CA 122.399 2.066 . . . . 72.43 111.629 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.46 -25.51 66.06 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-N 115.639 -0.709 . . . . 75.34 110.558 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.38 -40.67 91.67 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.255 0.622 . . . . 61.33 110.054 174.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.2 t -76.04 -38.29 34.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 N-CA-C 108.904 -0.776 . . . . 70.21 108.904 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.22 -42.1 94.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 115.97 -0.559 . . . . 73.32 110.477 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.04 -47.01 72.67 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.983 -0.553 . . . . 74.34 109.612 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.88 90.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 74.24 110.55 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.7 -56.24 21.32 Favored 'General case' 0 C--O 1.194 -1.829 0 C-N-CA 123.595 0.758 . . . . 74.45 109.619 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -72.38 -12.18 61.01 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.342 0.867 . . . . 63.14 113.342 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.64 -30.33 24.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.433 -0.349 . . . . 73.24 110.63 175.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.18 -36.57 10.41 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 122.429 1.109 . . . . 72.12 109.442 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m . . . . . 1 N--CA 1.377 -4.091 0 CA-C-N 113.119 -1.855 . . . . 74.21 108.978 -173.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.7 tpp . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 120.722 0.296 . . . . 74.15 110.286 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.2 m -86.69 82.43 7.87 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 107.971 -1.122 . . . . 64.24 107.971 176.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.23 38.34 1.85 Allowed Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 120.166 -1.016 . . . . 73.35 113.066 -175.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 m -75.26 -30.26 60.43 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.681 -1.229 . . . . 74.24 107.681 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.86 82.99 0.29 Allowed Glycine 0 N--CA 1.42 -2.407 0 N-CA-C 108.889 -1.684 . . . . 73.32 108.889 174.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -76.55 149.77 36.62 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 121.03 -0.268 . . . . 75.33 110.435 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.43 151.29 46.44 Favored Glycine 0 N--CA 1.429 -1.807 0 C-N-CA 120.659 -0.781 . . . . 52.42 111.873 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -75.3 -7.03 52.84 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.547 0.689 . . . . 75.41 110.667 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.09 -0.02 87.31 Favored Glycine 0 N--CA 1.431 -1.683 0 CA-C-N 115.069 -0.968 . . . . 74.1 111.785 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 147.86 51.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.413 -0.588 . . . . 73.42 109.413 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.413 HG22 HE21 ' A' ' 79' ' ' GLN . 21.9 mt -100.81 133.11 45.08 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.218 0 CA-C-N 116.119 -0.491 . . . . 72.14 109.688 -172.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -77.34 -54.15 6.81 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.24 -0.891 . . . . 61.33 110.059 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -83.87 148.72 26.81 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.088 -1.079 . . . . 74.25 108.088 176.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.91 130.59 38.74 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 108.362 -0.977 . . . . 73.02 108.362 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.449 ' O ' HG13 ' A' ' 83' ' ' ILE . 77.3 mm-40 -64.0 -35.2 79.94 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.52 -0.548 . . . . 75.14 109.52 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.425 ' O ' HD13 ' A' ' 100' ' ' ILE . 4.3 m -59.2 -45.46 91.03 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.556 -0.747 . . . . 75.13 109.715 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . -66.93 -43.06 84.21 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.721 -0.474 . . . . 75.23 109.721 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.66 92.86 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.726 -0.67 . . . . 72.33 111.535 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 79' ' ' GLN . 77.5 mt -67.92 -36.53 75.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.944 -0.391 . . . . 73.52 109.944 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -67.47 -37.67 83.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.87 0.322 . . . . 72.15 111.87 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.9 mt-10 -63.1 -44.22 96.31 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.664 -0.495 . . . . 72.04 109.664 174.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -62.83 -43.72 98.05 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 115.639 -0.71 . . . . 74.43 109.215 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.84 0.856 . . . . 71.14 110.734 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -69.19 -33.96 74.17 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.558 -0.292 . . . . 75.3 111.559 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -62.95 -39.93 96.14 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.56 0.695 . . . . 64.2 111.002 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.3 -26.86 22.06 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.205 -0.907 . . . . 74.54 112.893 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.23 28.83 3.94 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.401 -0.905 . . . . 72.33 113.539 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -97.31 141.47 30.36 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.636 -0.505 . . . . 73.21 109.636 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -96.76 100.55 12.09 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.342 0.591 . . . . 74.25 110.813 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -99.14 -17.11 6.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 CA-C-N 115.492 -0.777 . . . . 72.14 109.481 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.4 t 65.94 -179.44 0.2 Allowed 'General case' 0 C--O 1.247 0.924 0 CA-C-N 114.923 -1.035 . . . . 72.24 110.899 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 p -107.45 -20.68 13.18 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.555 -0.748 . . . . 72.45 109.849 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -74.81 -51.95 12.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.637 0.732 . . . . 74.44 109.158 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.03 -159.51 32.51 Favored Glycine 0 N--CA 1.426 -1.981 0 CA-C-N 114.747 -1.115 . . . . 74.5 113.177 -175.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -132.92 177.72 7.43 Favored 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 107.128 -1.434 . . . . 72.45 107.128 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' ' 80' ' ' SER . 14.7 mt -75.41 125.41 88.84 Favored Pre-proline 0 C--N 1.295 -1.792 0 N-CA-C 112.907 0.706 . . . . 70.14 112.907 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.54 145.82 48.12 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 122.393 2.062 . . . . 73.51 110.56 173.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.69 58.67 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 123.865 0.866 . . . . 73.21 110.807 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.39 -41.72 94.42 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.557 0.694 . . . . 64.43 110.679 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.87 -37.16 27.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.14 -0.689 . . . . 74.14 109.14 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.97 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 CA-C-N 115.964 -0.562 . . . . 75.02 110.155 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.2 -51.83 53.89 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.604 -0.726 . . . . 75.52 109.317 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.23 87.41 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.256 -0.884 . . . . 71.2 110.826 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -56.25 -56.96 14.59 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 115.927 -0.579 . . . . 74.31 110.19 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -70.61 -15.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.699 0.629 . . . . 73.52 112.699 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.84 -28.22 33.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.489 -0.323 . . . . 73.41 110.725 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.93 -27.38 13.62 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 122.148 0.975 . . . . 73.32 110.057 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.2 m . . . . . 1 N--CA 1.375 -4.184 0 CA-C-N 113.926 -1.488 . . . . 74.24 109.691 -172.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.344 0.592 . . . . 73.33 110.031 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 m -147.1 -62.25 0.29 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.543 -1.28 . . . . 75.03 107.543 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.16 -117.47 2.05 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 110.739 -0.944 . . . . 73.22 110.739 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.7 p -88.71 -14.09 38.09 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 121.087 0.47 . . . . 74.51 110.519 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.97 -159.24 14.07 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.985 -0.846 . . . . 72.34 110.985 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 75.55 105.86 0.07 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 124.538 1.135 . . . . 75.12 113.765 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.07 23.56 2.58 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.14 -0.936 . . . . 73.14 112.753 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -100.96 136.38 40.91 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.016 -0.735 . . . . 70.22 109.016 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.54 -79.76 0.73 Allowed Glycine 0 CA--C 1.485 -1.813 0 N-CA-C 107.58 -2.208 . . . . 74.44 107.58 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.54 126.12 50.5 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 106.63 -1.618 . . . . 72.31 106.63 170.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.9 mt -79.25 128.49 38.5 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.357 0 CA-C-N 115.244 -0.889 . . . . 72.34 109.453 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -76.68 -44.78 32.27 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.8 0.81 . . . . 51.32 110.082 -176.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -93.16 172.26 8.41 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.899 -1.046 . . . . 75.04 109.912 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.41 134.51 45.44 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 112.352 0.501 . . . . 75.1 112.352 -174.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 83' ' ' ILE . 71.0 mt-30 -62.17 -35.39 78.66 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.414 -0.958 . . . . 74.34 108.414 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 29.6 m -57.43 -42.49 82.47 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.248 -0.887 . . . . 74.43 110.91 176.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.32 -45.89 78.74 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.385 -0.598 . . . . 64.03 109.385 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.54 83.2 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 116.009 -0.541 . . . . 75.51 111.325 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.5 mt -66.11 -39.65 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.431 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 80' ' ' SER . 42.0 mtm105 -68.32 -42.18 79.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.633 0.234 . . . . 74.24 111.633 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.49 -41.34 97.13 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 111.554 0.205 . . . . 71.12 111.554 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.419 ' O ' ' HB2' ' A' ' 89' ' ' ARG . 66.4 t90 -64.67 -41.45 96.07 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 109.167 -0.679 . . . . 75.13 109.167 177.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 92' ' ' HIS . . . -56.59 -51.41 68.75 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.078 -0.964 . . . . 71.11 109.919 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -65.85 -30.75 71.41 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.751 -0.659 . . . . 74.44 112.443 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 86' ' ' TRP . 16.9 mmt85 -61.54 -44.7 96.58 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.557 0.694 . . . . 75.32 109.168 172.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -90.08 -7.87 52.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 114.269 1.211 . . . . 73.22 114.269 -174.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.3 4.34 50.29 Favored Glycine 0 C--N 1.306 -1.096 0 C-N-CA 120.589 -0.815 . . . . 74.22 113.673 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.429 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . 72.8 m-70 -81.75 118.42 22.85 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.578 -1.268 . . . . 72.15 107.578 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.27 99.81 9.54 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 120.996 0.427 . . . . 75.25 110.352 -177.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 51.8 t -124.28 123.99 67.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 N-CA-C 108.097 -1.075 . . . . 74.15 108.097 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.9 t -100.59 179.5 4.41 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.231 0.539 . . . . 73.41 109.982 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.5 p -84.94 -15.55 44.02 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 108.536 -0.913 . . . . 70.12 108.536 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -90.69 97.77 11.38 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 114.766 -1.106 . . . . 65.44 108.381 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.08 168.93 20.62 Favored Glycine 0 N--CA 1.434 -1.461 0 N-CA-C 109.789 -1.324 . . . . 75.53 109.789 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -80.35 178.73 8.1 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 117.349 0.574 . . . . 74.01 111.524 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -90.61 131.56 37.59 Favored Pre-proline 0 C--N 1.307 -1.272 0 N-CA-C 109.547 -0.538 . . . . 71.04 109.547 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.71 131.84 48.07 Favored 'Trans proline' 0 C--O 1.247 0.97 0 C-N-CA 122.492 2.128 . . . . 74.02 111.439 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.58 67.54 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.22 0.608 . . . . 71.13 110.488 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.91 -41.65 92.16 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.646 -0.501 . . . . 64.44 109.646 175.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.86 -41.17 61.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.418 -0.586 . . . . 74.44 109.418 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.63 -45.31 98.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.708 -0.678 . . . . 74.23 110.482 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.7 -44.57 77.39 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.791 -0.641 . . . . 73.22 109.797 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.87 93.74 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.299 -0.864 . . . . 74.0 110.588 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -57.33 -56.55 20.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 123.532 0.733 . . . . 74.31 110.323 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -68.67 -17.36 64.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.333 0.864 . . . . 74.3 113.333 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.18 -35.6 16.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.832 0.348 . . . . 75.14 111.601 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.31 9.02 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 112.886 0.699 . . . . 60.34 112.886 -174.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.421 -1.889 0 N-CA-C 109.325 -0.62 . . . . 70.44 109.325 -174.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 120.822 0.344 . . . . 73.35 110.158 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 p -107.56 -60.25 1.72 Allowed 'General case' 0 N--CA 1.423 -1.814 0 CA-C-O 121.559 0.695 . . . . 73.32 109.748 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.66 -111.66 1.15 Allowed Glycine 0 N--CA 1.421 -2.316 0 CA-C-N 115.84 -0.618 . . . . 73.3 112.321 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.3 m -143.04 102.67 4.04 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 120.974 0.416 . . . . 73.31 111.06 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.46 -106.04 3.34 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.744 -0.741 . . . . 75.21 114.306 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 72.13 123.72 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.977 1.311 . . . . 72.34 110.807 -173.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.06 -74.17 2.35 Favored Glycine 0 C--O 1.249 1.041 0 N-CA-C 110.046 -1.222 . . . . 72.52 110.046 -177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 70.93 -65.8 0.32 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.799 1.64 . . . . 74.53 111.908 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 169.67 64.92 0.04 OUTLIER Glycine 0 N--CA 1.433 -1.545 0 N-CA-C 109.939 -1.265 . . . . 74.43 109.939 -176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.34 174.8 6.11 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.305 -0.628 . . . . 74.23 109.305 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.2 mt -89.96 118.99 36.33 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.143 0 N-CA-C 108.913 -0.773 . . . . 74.54 108.913 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -95.65 -28.73 14.67 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 115.094 -0.957 . . . . 71.13 109.981 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -85.62 172.45 10.9 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.165 -0.925 . . . . 74.33 109.858 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.13 111.08 2.4 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 123.115 0.259 . . . . 73.33 111.241 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.522 ' O ' HG13 ' A' ' 83' ' ' ILE . 44.4 mt-30 -59.03 -52.29 66.38 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.197 0.814 . . . . 74.5 113.197 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.0 m -62.49 -45.35 93.41 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-O 121.134 0.492 . . . . 71.32 111.012 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . -61.08 -41.41 96.59 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.613 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.48 99.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 O-C-N 123.244 0.34 . . . . 63.32 111.176 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.8 mt -61.07 -43.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 109.345 -0.613 . . . . 74.23 109.345 177.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 54.8 mtp180 -63.82 -43.12 97.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 75.32 111.814 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 48.2 mt-10 -66.04 -39.76 90.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.667 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -63.15 -43.33 98.64 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.594 -0.891 . . . . 75.02 108.594 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.2 83.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.185 -0.916 . . . . 71.34 110.373 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 39.2 mmt180 -59.86 -44.33 94.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 71.43 110.616 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 99.5 mtt180 -63.47 -38.32 90.67 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.629 0.728 . . . . 74.43 112.025 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -90.08 -10.7 43.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.152 -0.931 . . . . 73.14 112.804 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.04 34.65 9.62 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.283 -0.96 . . . . 61.52 112.45 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -95.9 141.06 29.79 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.598 -0.519 . . . . 71.44 109.598 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -84.85 99.44 10.92 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.368 0.604 . . . . 71.04 112.459 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 65.0 t -118.84 114.23 44.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 106.395 -1.706 . . . . 71.54 106.395 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.434 ' OG ' ' HG2' ' A' ' 97' ' ' ARG . 27.1 t -82.47 153.6 25.54 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 120.947 0.403 . . . . 64.51 110.124 -177.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 p -81.71 4.81 20.47 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 123.678 0.791 . . . . 74.13 110.861 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' HG2' ' OG ' ' A' ' 95' ' ' SER . 22.6 mmm180 -65.54 -42.47 91.92 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.674 -0.694 . . . . 74.01 109.321 176.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 142.26 146.15 4.6 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.569 -0.824 . . . . 73.4 112.11 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . 0.255 35.5 mmt180 79.01 125.93 0.04 OUTLIER 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 125.956 1.702 . . . . 65.32 114.945 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.1 mt -84.62 128.54 60.83 Favored Pre-proline 0 N--CA 1.427 -1.595 0 CA-C-N 114.268 -1.333 . . . . 74.43 108.13 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.67 136.56 54.53 Favored 'Trans proline' 0 C--O 1.254 1.313 0 C-N-CA 122.267 1.978 . . . . 75.33 111.341 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -29.42 65.49 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.997 0.919 . . . . 74.34 110.657 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.8 -43.86 94.24 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 124.023 0.827 . . . . 72.11 109.759 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.99 -40.79 59.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 114.996 -1.002 . . . . 74.42 109.054 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.63 -40.3 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.744 -0.662 . . . . 74.32 110.247 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.33 -49.19 67.81 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.546 -0.752 . . . . 75.04 109.908 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.4 98.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.106 -0.952 . . . . 55.44 110.459 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -57.02 -54.09 50.69 Favored 'General case' 0 C--O 1.198 -1.61 0 CA-C-N 115.598 -0.728 . . . . 72.52 109.827 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.33 -22.02 62.85 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.618 0.97 . . . . 74.01 113.618 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.03 39.33 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.768 -0.196 . . . . 75.0 111.363 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.6 -31.47 10.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 122.036 0.922 . . . . 74.2 110.566 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.391 -3.394 0 CA-C-N 114.564 -1.198 . . . . 74.0 111.108 -169.734 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 108.984 -0.747 . . . . 75.44 108.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 t -123.8 99.8 6.45 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.81 -0.811 . . . . 74.33 108.81 175.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.62 99.28 2.36 Favored Glycine 0 N--CA 1.424 -2.147 0 N-CA-C 109.501 -1.44 . . . . 71.53 109.501 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -144.45 149.65 36.35 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 122.565 -0.374 . . . . 74.44 110.234 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.66 76.58 0.33 Allowed Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 110.06 -1.216 . . . . 72.24 110.06 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -63.69 139.58 58.78 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.124 0.488 . . . . 73.22 111.676 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.58 -60.0 0.48 Allowed Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 110.166 -1.174 . . . . 72.41 110.166 -177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 63.42 -91.65 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.384 1.074 . . . . 74.13 111.292 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -128.23 10.64 6.53 Favored Glycine 0 N--CA 1.435 -1.388 0 N-CA-C 110.808 -0.917 . . . . 73.31 110.808 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.28 170.8 15.64 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.195 0.521 . . . . 73.54 110.022 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 58.5 mt -98.87 104.95 16.64 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.601 0.715 . . . . 73.03 109.986 -174.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.15 -56.46 3.91 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 114.469 -1.241 . . . . 61.15 109.434 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -95.55 121.48 37.29 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.287 -1.005 . . . . 71.11 108.287 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -49.21 148.87 2.29 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 114.829 1.418 . . . . 72.31 114.829 -172.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.58 ' O ' HG13 ' A' ' 83' ' ' ILE . 14.9 mm-40 -62.36 -38.38 89.32 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-N 114.585 -1.189 . . . . 75.23 108.999 176.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 m -56.49 -45.07 81.19 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.745 -0.661 . . . . 74.42 110.065 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.93 96.64 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.838 -0.619 . . . . 70.35 109.983 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.73 94.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.561 -0.745 . . . . 73.42 111.704 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 79' ' ' GLN . 70.3 mt -62.02 -42.0 93.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.141 -0.689 . . . . 75.32 109.141 177.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -63.41 -44.77 93.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.002 -0.544 . . . . 73.41 111.111 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.44 -45.26 94.32 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.293 0.371 . . . . 74.51 111.049 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.78 -42.14 99.56 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.27 -0.641 . . . . 72.41 109.27 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.45 81.66 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.525 -0.761 . . . . 74.4 110.186 177.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -68.16 -27.18 66.2 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 111.881 0.326 . . . . 75.54 111.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -71.89 -36.36 70.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.846 0.355 . . . . 75.33 110.909 174.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -90.43 -19.74 23.56 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.535 0.568 . . . . 74.44 112.535 -176.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.52 30.42 6.55 Favored Glycine 0 N--CA 1.439 -1.137 0 C-N-CA 121.136 -0.554 . . . . 63.22 112.551 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -99.39 117.17 33.24 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.471 -0.937 . . . . 71.44 108.471 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -86.83 86.07 7.31 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.341 -0.543 . . . . 75.43 109.806 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 m -68.29 145.66 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 N-CA-C 113.528 0.936 . . . . 75.34 113.528 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.0 t -73.88 125.98 29.4 Favored 'General case' 0 N--CA 1.423 -1.796 0 CA-C-N 114.678 -1.146 . . . . 74.41 109.807 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.1 p -101.82 12.69 36.62 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 122.561 1.172 . . . . 71.4 108.568 173.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.31 93.89 5.22 Favored 'General case' 0 N--CA 1.42 -1.937 0 CA-C-N 114.279 -1.328 . . . . 72.32 107.52 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.65 -102.35 2.26 Favored Glycine 0 N--CA 1.426 -2.03 0 N-CA-C 109.4 -1.48 . . . . 63.24 109.4 -175.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -140.56 173.66 11.27 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 109.915 -0.402 . . . . 74.12 109.915 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.51 134.91 88.53 Favored Pre-proline 0 C--N 1.312 -1.037 0 O-C-N 123.896 0.748 . . . . 72.32 109.709 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.5 130.74 36.93 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 122.783 2.322 . . . . 72.03 112.096 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -32.89 51.73 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 123.78 0.832 . . . . 71.11 111.307 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -45.82 78.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.178 0.591 . . . . 75.12 110.686 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.22 -33.54 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-N 115.994 -0.548 . . . . 74.32 109.576 -178.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.3 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.64 -40.1 76.71 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 110.085 -0.339 . . . . 75.54 110.085 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.57 95.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 72.01 110.177 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -60.05 -55.78 29.72 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.346 0.659 . . . . 72.03 110.634 177.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -67.06 -22.11 65.87 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 112.713 0.635 . . . . 74.4 112.713 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.4 20.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.725 0.298 . . . . 74.23 110.42 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.71 36.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.585 0.587 . . . . 62.11 112.585 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 118.572 -0.728 . . . . 72.34 110.29 -177.757 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.01 0.433 . . . . 40.53 110.255 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.13 87.21 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.495 -0.775 . . . . 40.25 111.25 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.64 -38.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.1 110.609 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -65.26 -43.42 91.34 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.746 -0.206 . . . . 64.55 111.326 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 60.6 mt-10 -63.98 -39.5 94.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.398 -0.521 . . . . 62.22 111.056 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -63.21 -44.7 94.57 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 108.789 -0.819 . . . . 74.31 108.789 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.06 -48.37 76.17 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 114.862 -1.063 . . . . 74.55 109.948 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -64.39 -39.08 93.15 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.86 0.318 . . . . 74.4 111.86 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 64.8 mtt180 -66.84 -27.73 67.77 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.993 0.425 . . . . 72.33 111.64 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -94.9 -12.87 26.06 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.562 0.578 . . . . 63.04 112.562 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.69 23.04 22.17 Favored Glycine 0 C--N 1.312 -0.764 0 C-N-CA 120.945 -0.645 . . . . 74.02 113.482 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.308 -1.231 0 N-CA-C 108.557 -0.905 . . . . 75.13 108.557 178.002 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.1 mt . . . . . 0 N--CA 1.423 -1.788 0 N-CA-C 107.409 -1.33 . . . . 60.24 107.409 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.22 133.57 47.43 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 121.887 1.725 . . . . 71.2 110.985 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.15 -30.44 59.84 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 123.598 0.759 . . . . 70.13 111.036 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.67 -39.22 93.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.1 -0.954 . . . . 65.2 110.739 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -74.35 -37.97 46.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 108.794 -0.817 . . . . 60.24 108.794 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.91 -41.12 91.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.736 -0.666 . . . . 61.45 110.118 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.6 -48.55 69.2 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.97 -0.752 . . . . 71.31 108.97 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.53 87.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.076 -0.965 . . . . 54.02 110.316 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -54.87 -57.44 11.58 Favored 'General case' 0 C--O 1.201 -1.455 0 CA-C-N 115.89 -0.596 . . . . 65.12 110.249 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -68.16 -18.46 64.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.125 0.787 . . . . 73.24 113.125 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.01 30.83 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.368 -0.378 . . . . 71.14 111.371 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.89 -28.19 13.94 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 122.346 1.07 . . . . 62.43 109.543 -175.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.9 m . . . . . 0 N--CA 1.383 -3.787 0 CA-C-N 113.769 -1.559 . . . . 72.15 108.871 -172.491 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 109.914 -0.402 . . . . 72.54 109.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.59 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.757 -0.656 . . . . 72.24 111.458 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.413 HG12 ' CG ' ' A' ' 108' ' ' TYR . 80.2 mt -66.5 -43.12 91.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.505 -0.554 . . . . 73.54 109.505 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -61.6 -43.25 99.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.611 -0.268 . . . . 74.23 111.567 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 57.7 mt-10 -59.54 -49.47 77.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 65.11 110.422 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -60.3 -44.81 95.08 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.085 0.554 . . . . 65.12 109.716 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.9 82.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.429 -0.805 . . . . 75.4 110.649 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -74.64 -21.59 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.652 0.612 . . . . 74.1 112.652 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 34.8 mmt180 -79.54 -30.45 41.77 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.37 -0.532 . . . . 74.01 109.646 175.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -94.87 -17.07 22.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.156 1.169 . . . . 71.25 114.156 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.81 19.58 10.17 Favored Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.03 -1.081 . . . . 72.0 113.92 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 . . . . . 0 C--N 1.306 -1.311 0 N-CA-C 108.907 -0.775 . . . . 73.44 108.907 179.459 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.5 mt . . . . . 0 N--CA 1.435 -1.209 0 N-CA-C 106.616 -1.624 . . . . 65.34 106.616 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -59.24 132.29 45.9 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.02 1.813 . . . . 73.11 111.544 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.69 -30.63 65.64 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 123.817 0.847 . . . . 72.44 110.392 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.14 -40.3 95.47 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.704 1.202 . . . . 73.33 110.516 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.33 -41.28 50.41 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 108.899 -0.778 . . . . 71.44 108.899 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.403 -0.817 . . . . 74.52 109.737 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.19 -46.01 82.49 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.094 -0.957 . . . . 61.1 109.639 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.25 86.41 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.057 -0.974 . . . . 70.31 110.261 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 112' ' ' THR . 73.3 t80 -59.35 -56.37 22.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.542 0.737 . . . . 72.43 110.198 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -65.59 -24.29 67.04 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 112.335 0.495 . . . . 72.12 112.335 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.35 24.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.975 -0.557 . . . . 50.33 110.644 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.74 51.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.912 1.079 . . . . 73.42 113.912 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 108' ' ' TYR . 15.0 t . . . . . 0 N--CA 1.424 -1.761 0 C-N-CA 119.147 -1.021 . . . . 65.32 111.064 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.811 -0.44 . . . . 64.12 109.811 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.91 92.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.481 -0.781 . . . . 41.52 110.875 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.422 HG12 ' CG ' ' A' ' 108' ' ' TYR . 72.6 mt -64.25 -42.1 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 O-C-N 123.364 0.415 . . . . 63.32 110.347 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -60.8 -46.74 89.33 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.955 0.407 . . . . 74.34 111.049 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 43.4 mt-10 -65.16 -42.52 93.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.989 -0.55 . . . . 63.41 111.458 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.44 -42.9 97.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.924 -0.769 . . . . 71.42 108.924 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.37 -52.17 66.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.436 -0.802 . . . . 74.04 110.045 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -60.24 -40.81 91.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.616 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 82.4 mtt180 -69.65 -26.63 64.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.795 0.665 . . . . 74.44 112.795 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -89.63 -29.52 18.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.315 -0.402 . . . . 73.51 111.529 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.25 24.95 4.28 Favored Glycine 0 C--N 1.314 -0.683 0 C-N-CA 120.67 -0.776 . . . . 75.44 113.043 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.407 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 66.7 m-70 . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 107.315 -1.365 . . . . 74.02 107.315 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.9 mt . . . . . 0 N--CA 1.425 -1.717 0 N-CA-C 105.645 -1.983 . . . . 72.12 105.645 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -60.15 128.6 26.95 Favored 'Trans proline' 0 C--O 1.245 0.867 0 C-N-CA 122.597 2.198 . . . . 54.01 112.023 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -27.19 65.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 53.55 111.849 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.63 -40.69 95.93 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.588 -0.523 . . . . 72.4 109.588 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.78 -39.22 68.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.776 -0.824 . . . . 74.22 108.776 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.58 -41.88 91.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.847 -0.615 . . . . 51.14 110.258 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.12 -46.23 74.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.894 -0.594 . . . . 72.13 110.084 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.93 91.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.399 -0.819 . . . . 73.15 110.18 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.422 ' CG ' HG12 ' A' ' 83' ' ' ILE . 58.5 t80 -54.64 -59.0 5.3 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.634 -0.712 . . . . 73.04 109.989 176.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -69.13 -17.29 63.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.546 0.573 . . . . 75.34 112.546 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.03 31.53 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 122.294 -0.254 . . . . 55.42 110.866 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.9 -42.59 9.96 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 122.419 1.104 . . . . 74.14 108.532 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 46.5 m . . . . . 1 N--CA 1.378 -4.062 0 CA-C-N 112.869 -1.969 . . . . 70.25 109.227 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.724 -0.473 . . . . 62.14 109.724 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.79 91.43 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.722 -0.672 . . . . 72.22 111.198 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 108' ' ' TYR . 71.8 mt -66.31 -44.38 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.919 -0.4 . . . . 74.34 109.919 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -62.26 -40.95 97.9 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.265 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.6 mt-10 -66.34 -39.68 89.35 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.832 0.678 . . . . 74.32 112.832 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -63.81 -43.0 97.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.167 -1.049 . . . . 74.21 108.167 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.52 -45.35 85.11 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.559 -1.201 . . . . 62.21 110.574 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -69.7 -30.6 68.27 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.287 -0.415 . . . . 73.22 112.073 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.9 mmt-85 -69.82 -38.63 76.64 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.226 -0.59 . . . . 71.13 109.665 176.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.42 -12.36 40.46 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.458 0.91 . . . . 75.02 113.458 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.11 35.01 6.87 Favored Glycine 0 C--N 1.313 -0.737 0 C-N-CA 120.862 -0.685 . . . . 51.23 114.284 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.492 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 39.9 m-70 . . . . . 0 C--N 1.311 -1.092 0 CA-C-N 117.321 0.56 . . . . 73.54 109.669 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 N--CA 1.44 -0.969 0 N-CA-C 107.365 -1.346 . . . . 71.43 107.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.07 128.54 30.63 Favored 'Trans proline' 0 C--O 1.261 1.626 0 C-N-CA 122.118 1.879 . . . . 70.42 111.492 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.55 -28.26 44.48 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.712 0.805 . . . . 74.43 112.219 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.31 -37.17 77.65 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 120.523 0.201 . . . . 55.44 110.808 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.3 t -70.73 -38.79 74.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 N-CA-C 108.427 -0.953 . . . . 65.41 108.427 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.77 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.199 -0.909 . . . . 54.53 109.825 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.33 -47.53 76.19 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.497 -0.774 . . . . 65.4 109.541 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.39 93.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.04 -0.982 . . . . 65.31 110.807 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 83' ' ' ILE . 92.4 t80 -59.73 -53.29 59.68 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 123.074 0.55 . . . . 74.53 110.086 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -72.55 -13.89 61.51 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.8 0.667 . . . . 72.03 112.8 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.89 -50.5 11.11 Favored 'General case' 0 N--CA 1.433 -1.293 0 N-CA-C 108.68 -0.859 . . . . 72.24 108.68 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.87 64.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.337 -0.847 . . . . 53.43 111.94 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.421 -1.918 0 CA-C-O 117.689 -1.148 . . . . 74.34 110.195 -178.12 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.244 0 N-CA-C 109.646 -0.502 . . . . 62.42 109.646 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.81 81.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.748 -0.66 . . . . 41.24 111.339 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.416 HG12 ' CD1' ' A' ' 108' ' ' TYR . 71.3 mt -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.792 -0.447 . . . . 74.52 109.792 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -62.72 -44.09 97.12 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.777 -0.647 . . . . 75.25 110.28 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 69.3 mm-40 -59.43 -49.55 77.36 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.107 -0.951 . . . . 71.02 110.338 175.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.6 -43.23 84.52 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.652 0.781 . . . . 75.51 109.599 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -54.04 50.6 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.147 -0.933 . . . . 73.12 110.641 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -60.12 -38.17 82.22 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.995 -0.548 . . . . 74.41 111.839 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 72.6 mtt180 -71.57 -27.67 63.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.12 -0.491 . . . . 70.45 112.116 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.95 -15.19 25.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.609 0.596 . . . . 73.21 112.609 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 23.05 10.89 Favored Glycine 0 C--N 1.309 -0.947 0 C-N-CA 120.609 -0.805 . . . . 54.23 113.21 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 N--CA 1.432 -1.336 0 N-CA-C 107.52 -1.289 . . . . 72.43 107.52 176.15 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.235 0.3 0 N-CA-C 111.278 0.103 . . . . 74.5 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -73.91 141.39 30.06 Favored 'Trans proline' 0 C--O 1.261 1.641 0 C-N-CA 122.295 1.997 . . . . 73.02 110.622 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.07 -29.51 63.52 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.621 0.768 . . . . 62.13 111.764 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.49 -40.36 94.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.116 0.484 . . . . 74.34 110.563 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.83 -35.76 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.777 -0.647 . . . . 53.11 109.601 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.74 -40.68 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.588 0.709 . . . . 73.33 109.5 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.19 -51.62 62.9 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.031 -0.986 . . . . 75.23 110.425 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.59 95.37 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.215 -0.902 . . . . 44.4 110.255 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.416 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.2 t80 -53.9 -54.49 38.04 Favored 'General case' 0 C--O 1.196 -1.724 0 CA-C-N 115.713 -0.676 . . . . 62.13 110.408 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.98 -22.22 62.21 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.954 0.724 . . . . 74.51 112.954 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.29 49.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.427 -0.351 . . . . 63.21 110.938 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.77 -41.78 5.81 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 122.236 1.017 . . . . 73.33 110.025 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.4 m . . . . . 0 N--CA 1.387 -3.599 0 CA-C-N 113.554 -1.657 . . . . 54.31 110.141 -172.593 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.634 0 CA-C-O 120.509 0.195 . . . . 61.2 110.548 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.73 92.22 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.921 -0.581 . . . . 74.32 110.819 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.19 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.424 -0.584 . . . . 73.24 109.424 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -63.75 -38.54 91.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 63.14 111.36 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 45.4 mt-10 -63.19 -45.34 92.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.373 -0.376 . . . . 65.4 110.595 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.01 -44.31 97.6 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.839 -0.8 . . . . 71.11 108.839 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -55.69 -51.04 68.63 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.175 -0.921 . . . . 72.44 109.701 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' NH2' ' HG2' ' A' ' 85' ' ' GLU . 49.6 mtm180 -61.35 -38.78 88.16 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.925 -0.58 . . . . 73.3 112.418 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 16.2 mmt180 -66.64 -38.41 86.83 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.895 0.378 . . . . 73.52 110.897 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -90.73 -9.31 47.14 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 113.065 0.765 . . . . 74.41 113.065 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.33 30.93 8.75 Favored Glycine 0 C--N 1.312 -0.77 0 C-N-CA 120.646 -0.788 . . . . 40.45 113.261 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.454 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 63.3 m-70 . . . . . 0 N--CA 1.428 -1.538 0 N-CA-C 107.193 -1.41 . . . . 73.31 107.193 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt . . . . . 0 N--CA 1.428 -1.532 0 N-CA-C 109.216 -0.661 . . . . 73.32 109.216 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -64.37 134.04 40.13 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.529 2.153 . . . . 73.24 111.574 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.4 -27.65 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.341 0.657 . . . . 75.24 111.002 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -41.52 98.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.954 -0.566 . . . . 73.43 110.539 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.5 t -74.73 -36.95 41.76 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 N-CA-C 109.357 -0.609 . . . . 71.3 109.357 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 77.8 mt -64.02 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.943 -0.572 . . . . 63.34 110.172 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.1 -40.19 71.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.983 -0.553 . . . . 73.11 110.154 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.41 96.05 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-N 115.992 -0.549 . . . . 45.12 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 70.2 t80 -53.96 -57.29 11.56 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.959 -1.018 . . . . 70.21 109.474 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -67.31 -22.57 65.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.339 0.866 . . . . 61.33 113.339 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.91 -20.97 34.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.736 -0.211 . . . . 32.44 111.424 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.2 -40.23 7.67 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.569 1.176 . . . . 42.21 109.503 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 1 N--CA 1.374 -4.237 0 CA-C-N 113.105 -1.862 . . . . 71.52 110.091 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 109.485 -0.561 . . . . 62.42 109.485 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.76 89.56 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 123.782 0.676 . . . . 73.55 111.145 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.56 -42.58 96.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 110.202 -0.296 . . . . 74.34 110.202 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -60.77 -46.02 92.08 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.023 0.439 . . . . 73.02 110.861 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 8.9 mm-40 -60.87 -48.98 79.32 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.16 -0.927 . . . . 73.44 110.014 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -60.0 -43.59 95.09 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.17 0.588 . . . . 73.53 109.64 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.07 81.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.658 -0.701 . . . . 61.1 110.421 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -74.66 -24.63 58.84 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.291 0.848 . . . . 64.12 113.291 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.4 mmt180 -71.76 -37.57 70.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.089 -0.708 . . . . 61.54 109.089 174.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -89.85 -21.4 22.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.833 1.049 . . . . 65.21 113.833 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.08 24.6 6.49 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.912 -1.137 . . . . 64.11 113.652 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--N 1.307 -1.244 0 N-CA-C 107.459 -1.312 . . . . 70.34 107.459 177.322 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.428 -1.542 0 N-CA-C 107.919 -1.141 . . . . 63.54 107.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -63.39 130.94 30.02 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 121.758 1.638 . . . . 71.14 111.08 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.36 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.373 0.669 . . . . 65.44 110.492 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.45 -41.95 90.87 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.515 -0.766 . . . . 65.23 109.583 175.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.77 -38.51 44.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-N 115.589 -0.732 . . . . 65.04 109.279 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.77 -42.57 92.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 116.039 -0.528 . . . . 73.32 110.162 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.63 -47.81 71.43 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 115.926 -0.579 . . . . 50.13 109.685 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.85 82.12 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.171 0.919 . . . . 54.03 110.555 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -54.54 -59.39 4.77 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 123.695 0.798 . . . . 74.15 110.335 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -67.29 -19.7 65.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.513 0.931 . . . . 63.23 113.513 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.72 -27.35 29.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.446 -0.343 . . . . 53.12 111.361 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.99 -29.19 13.43 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 122.207 1.003 . . . . 65.22 109.892 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.384 -3.729 0 CA-C-N 113.748 -1.569 . . . . 65.53 109.48 -172.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.216 -0.7 0 N-CA-C 109.267 -0.642 . . . . 74.0 109.267 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.94 97.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.915 -0.584 . . . . 74.02 110.687 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.432 HG12 ' CD1' ' A' ' 108' ' ' TYR . 66.5 mt -60.37 -44.2 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.312 -0.625 . . . . 75.33 109.312 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.69 -45.11 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.348 -0.842 . . . . 73.12 111.782 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 34.6 mt-10 -69.43 -37.41 77.41 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.023 -0.535 . . . . 70.24 111.366 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -64.0 -42.79 97.05 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 108.53 -0.915 . . . . 74.21 108.53 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.34 -49.55 75.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.596 -1.184 . . . . 73.42 110.629 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -69.59 -27.31 65.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.825 0.676 . . . . 64.54 112.825 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -70.93 -33.63 70.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.229 0.538 . . . . 75.11 111.359 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.65 -17.2 30.54 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.602 0.593 . . . . 72.13 112.602 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 12.43 33.91 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.907 -0.664 . . . . 70.22 113.695 175.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.446 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 75.8 m-70 . . . . . 0 C--N 1.316 -0.89 0 CA-C-N 117.086 0.443 . . . . 54.04 109.859 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt . . . . . 0 C--O 1.24 0.557 0 N-CA-C 109.16 -0.681 . . . . 75.14 109.16 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.62 134.4 47.37 Favored 'Trans proline' 0 C--O 1.253 1.257 0 C-N-CA 122.4 2.066 . . . . 62.34 112.084 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.25 68.66 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.642 0.777 . . . . 61.14 110.529 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -38.23 85.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.208 -0.451 . . . . 62.24 110.688 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.58 -39.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.249 -0.649 . . . . 64.33 109.249 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.78 -45.55 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.833 -0.621 . . . . 72.14 110.3 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.888 -0.596 . . . . 61.5 110.086 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.37 91.12 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.315 -0.857 . . . . 74.24 110.149 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.51 ' O ' HG22 ' A' ' 112' ' ' THR . 86.6 t80 -58.29 -56.34 23.29 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.468 0.707 . . . . 72.35 110.44 177.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -67.08 -19.05 65.59 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 113.011 0.745 . . . . 71.43 113.011 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.15 -41.7 13.57 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.752 0.311 . . . . 50.53 111.166 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.62 -46.26 22.64 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 113.507 0.929 . . . . 44.31 113.507 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 108' ' ' TYR . 10.5 t . . . . . 0 N--CA 1.429 -1.504 0 C-N-CA 120.002 -0.679 . . . . 74.25 109.346 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.703 0 CA-C-O 120.772 0.32 . . . . 73.43 110.404 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.17 85.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.033 -0.53 . . . . 70.14 111.287 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.26 -43.07 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 109.399 -0.593 . . . . 72.21 109.399 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 34.8 mtp180 -62.08 -48.07 81.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.358 -0.837 . . . . 75.23 111.382 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -72.84 -28.3 62.45 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.849 -0.614 . . . . 72.34 112.229 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.9 -40.91 95.83 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 107.896 -1.15 . . . . 63.43 107.896 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -59.58 -43.76 93.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.976 -1.011 . . . . 55.32 109.754 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 1.1 mmp_? -62.22 -45.3 93.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.37 -0.377 . . . . 61.14 110.365 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -59.9 -35.58 75.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.66 0.743 . . . . 74.14 110.541 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -95.29 -9.49 32.93 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 114.128 1.158 . . . . 55.22 114.128 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.55 35.37 10.51 Favored Glycine 0 C--N 1.312 -0.773 0 C-N-CA 119.982 -1.104 . . . . 72.35 112.54 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.479 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 62.8 m80 . . . . . 0 C--N 1.3 -1.583 0 N-CA-C 108.933 -0.766 . . . . 72.54 108.933 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt . . . . . 0 N--CA 1.422 -1.873 0 N-CA-C 107.691 -1.225 . . . . 74.51 107.691 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.46 134.33 57.7 Favored 'Trans proline' 0 C--O 1.252 1.19 0 C-N-CA 122.238 1.959 . . . . 64.42 111.059 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.44 62.57 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 115.672 -0.694 . . . . 61.4 110.969 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -61.61 -39.9 92.91 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.475 -0.329 . . . . 72.24 110.447 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.9 t -75.71 -39.84 39.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 N-CA-C 109.369 -0.604 . . . . 53.42 109.369 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.81 -43.4 97.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.385 0.612 . . . . 75.11 109.904 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.33 -45.7 79.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.381 -0.827 . . . . 73.21 110.033 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.67 91.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.286 -0.87 . . . . 74.51 110.479 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.72 -57.22 13.71 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.917 0.887 . . . . 71.21 110.023 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -66.12 -23.64 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.159 0.429 . . . . 64.0 112.159 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.19 -30.93 43.66 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 122.328 -0.232 . . . . 61.44 110.893 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.72 -51.07 6.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.454 0.538 . . . . 41.42 112.454 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.256 1.407 0 N-CA-C 109.106 -0.702 . . . . 63.14 109.106 -178.559 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 109.04 -0.726 . . . . 74.44 109.04 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.76 88.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 74.34 110.754 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.439 HG12 ' CD2' ' A' ' 108' ' ' TYR . 66.4 mt -64.41 -42.56 95.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.379 -0.6 . . . . 61.24 109.379 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -59.39 -46.43 88.71 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.928 -0.578 . . . . 71.22 110.897 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.1 mm-40 -59.13 -50.24 74.81 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.76 -0.654 . . . . 74.21 111.244 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.1 -42.92 95.72 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 123.38 0.672 . . . . 71.22 109.932 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -56.39 -50.23 72.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.592 -0.731 . . . . 74.53 109.772 177.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.24 -37.22 86.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.833 -0.622 . . . . 74.13 112.285 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.3 mmt180 -65.86 -36.21 82.81 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.246 0.546 . . . . 70.14 110.313 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -91.59 -12.81 33.26 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 112.957 0.725 . . . . 74.12 112.957 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.72 24.44 17.92 Favored Glycine 0 C--N 1.307 -1.028 0 C-N-CA 120.825 -0.703 . . . . 64.43 113.205 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 55.5 m-70 . . . . . 0 C--N 1.304 -1.409 0 N-CA-C 108.106 -1.072 . . . . 64.41 108.106 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 N--CA 1.432 -1.365 0 N-CA-C 107.005 -1.479 . . . . 74.33 107.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.46 130.66 36.63 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.492 2.128 . . . . 73.23 112.679 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.55 -29.8 66.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.626 0.771 . . . . 71.24 110.696 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.66 -41.24 97.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.807 -0.633 . . . . 53.43 109.826 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.22 -36.93 44.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 115.65 -0.705 . . . . 54.24 109.121 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.5 -45.46 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.575 . . . . 71.41 109.969 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.63 -42.37 91.58 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.047 -0.524 . . . . 65.24 109.79 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.79 95.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.227 -0.897 . . . . 54.23 110.296 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.439 ' CD2' HG12 ' A' ' 83' ' ' ILE . 85.6 t80 -59.62 -55.77 30.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.847 0.859 . . . . 74.22 109.887 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -69.95 -13.99 62.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.82 0.674 . . . . 71.03 112.82 -178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.41 -32.98 19.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.793 0.33 . . . . 74.53 110.703 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.1 -46.05 13.25 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 112.376 0.509 . . . . 51.14 112.376 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.426 -1.674 0 CA-C-O 118.152 -0.928 . . . . 70.23 111.005 -177.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 110.044 -0.354 . . . . 75.13 110.044 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.03 84.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.796 -0.638 . . . . 63.33 110.005 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 109.321 -0.622 . . . . 72.42 109.321 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 57.8 mtp180 -61.91 -41.93 98.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.764 -0.653 . . . . 63.4 111.198 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.643 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 38.7 mm-40 -60.06 -49.66 76.79 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 122.667 0.387 . . . . 71.32 110.314 176.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.08 -44.04 91.84 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 123.403 0.681 . . . . 72.22 109.222 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -58.83 -41.85 87.84 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.317 -0.856 . . . . 72.1 110.694 178.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 36.6 mmt180 -65.96 -36.87 84.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.024 -0.534 . . . . 73.43 111.214 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.3 mmt180 -72.0 -40.16 68.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.264 0.554 . . . . 73.42 110.483 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -82.44 -20.35 37.16 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.587 -0.733 . . . . 73.21 112.436 -177.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.88 42.54 3.29 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.192 -1.004 . . . . 73.14 113.353 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.472 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 66.1 m-70 . . . . . 0 C--N 1.298 -1.631 0 N-CA-C 109.333 -0.617 . . . . 75.52 109.333 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.4 mt . . . . . 0 N--CA 1.429 -1.507 0 N-CA-C 107.246 -1.39 . . . . 74.43 107.246 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.44 136.64 60.3 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 122.014 1.809 . . . . 65.13 111.721 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -26.8 66.3 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 123.442 0.697 . . . . 74.3 110.359 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.34 -39.52 94.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.994 -0.548 . . . . 75.04 110.405 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.51 -40.77 63.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.433 -0.951 . . . . 73.15 108.433 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.84 -40.67 89.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.425 -0.807 . . . . 52.33 110.188 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.69 -50.23 65.64 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.687 -0.688 . . . . 64.11 109.314 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.79 89.81 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.233 -0.894 . . . . 62.15 110.523 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -55.5 -54.87 38.54 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.883 0.873 . . . . 74.31 109.97 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.54 -14.32 60.4 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.976 0.732 . . . . 64.35 112.976 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.7 -15.75 27.97 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 122.258 -0.276 . . . . 51.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.7 -41.68 6.81 Favored 'General case' 0 CA--C 1.479 -1.781 0 CA-C-O 122.199 0.999 . . . . 63.33 108.633 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.383 -3.81 0 CA-C-N 113.251 -1.795 . . . . 74.31 109.497 -174.326 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 120.571 0.224 . . . . 74.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.37 85.6 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.795 -0.639 . . . . 60.23 111.148 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.79 -44.75 96.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.507 -0.553 . . . . 51.13 109.507 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -60.86 -41.69 96.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.943 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.52 -42.28 87.5 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 73.15 111.583 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -64.64 -43.11 94.71 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.07 -0.715 . . . . 75.44 109.07 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.53 69.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.375 -0.83 . . . . 75.02 110.047 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -61.66 -40.51 95.2 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.839 -0.618 . . . . 74.02 112.459 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -71.04 -28.54 64.45 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.368 0.507 . . . . 70.02 112.368 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -94.3 -11.2 30.58 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.704 0.631 . . . . 73.43 112.704 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.68 24.44 20.76 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.671 -0.776 . . . . 70.11 113.496 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 . . . . . 0 C--N 1.305 -1.35 0 N-CA-C 109.292 -0.633 . . . . 72.32 109.292 177.3 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.8 mt . . . . . 0 N--CA 1.433 -1.291 0 N-CA-C 108.753 -0.832 . . . . 73.52 108.753 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.4 131.36 24.59 Favored 'Trans proline' 0 C--O 1.251 1.173 0 C-N-CA 121.702 1.601 . . . . 72.23 110.393 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.74 -22.57 65.5 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 122.921 0.488 . . . . 73.13 111.549 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.99 -39.5 94.26 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.716 -0.846 . . . . 75.02 108.716 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.44 -37.68 30.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-N 115.413 -0.812 . . . . 51.25 108.823 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.08 -46.24 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.905 -0.588 . . . . 73.11 110.06 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.33 -44.27 75.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.051 -0.522 . . . . 60.33 110.207 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.09 84.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.847 -0.615 . . . . 63.04 110.072 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.99 -56.85 15.74 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.079 0.952 . . . . 60.2 110.782 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -67.44 -23.73 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.606 0.595 . . . . 72.13 112.606 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.3 -20.24 28.68 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.099 0.476 . . . . 75.2 111.057 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.46 -49.34 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.348 0.869 . . . . 45.24 113.348 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.251 1.174 0 C-N-CA 120.373 -0.531 . . . . 65.22 110.758 -173.806 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 120.638 0.256 . . . . 74.11 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.19 93.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 61.21 111.173 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.451 HG12 ' CD2' ' A' ' 108' ' ' TYR . 68.2 mt -66.31 -43.49 91.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.287 -0.634 . . . . 75.21 109.287 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -59.57 -44.57 93.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.683 -0.69 . . . . 73.32 111.234 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -68.28 -37.75 81.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.614 -0.721 . . . . 72.43 111.317 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -63.35 -41.26 98.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.272 -1.01 . . . . 64.44 108.272 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -59.01 -46.86 87.12 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.1 -0.954 . . . . 44.11 110.583 177.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -64.1 -43.08 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.941 -0.304 . . . . 74.23 111.125 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -60.26 -37.33 80.08 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.162 0.585 . . . . 74.24 111.226 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -89.16 -21.92 23.08 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.032 0.753 . . . . 71.1 113.032 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.58 35.09 4.48 Favored Glycine 0 C--N 1.315 -0.598 0 C-N-CA 120.794 -0.717 . . . . 44.44 113.204 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.428 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 75.2 m-70 . . . . . 0 C--N 1.306 -1.311 0 O-C-N 122.511 -0.405 . . . . 74.55 109.986 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--O 1.243 0.752 0 N-CA-C 111.251 0.093 . . . . 62.43 111.251 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.11 133.79 42.75 Favored 'Trans proline' 0 C--O 1.257 1.43 0 C-N-CA 122.357 2.038 . . . . 51.44 110.804 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.21 63.1 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.443 0.697 . . . . 74.33 112.283 -177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -64.12 -42.66 96.76 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.158 -0.682 . . . . 74.01 109.158 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.2 t -72.54 -39.5 61.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.282 -0.872 . . . . 74.12 108.724 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 68.5 mt -59.57 -45.54 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.604 . . . . 73.52 110.941 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.79 -43.51 83.74 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 120.764 -0.374 . . . . 63.14 110.01 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.66 86.38 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.882 -0.599 . . . . 61.3 110.617 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.451 ' CD2' HG12 ' A' ' 83' ' ' ILE . 74.1 t80 -59.19 -58.49 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.01 0.924 . . . . 75.01 110.606 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -66.18 -18.57 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.08 0.4 . . . . 61.21 112.08 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.74 26.22 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 73.44 110.677 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.74 -33.99 21.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.01 0.744 . . . . 75.05 113.01 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.43 -1.455 0 C-N-CA 120.215 -0.594 . . . . 74.23 110.537 -178.591 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.721 0 CA-C-O 120.439 0.161 . . . . 73.54 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.42 99.39 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.897 0.748 . . . . 65.14 110.721 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.87 -45.22 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.048 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -58.66 -43.7 89.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.317 0.58 . . . . 71.15 110.443 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -63.41 -41.12 98.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.732 -0.667 . . . . 64.35 112.314 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -66.49 -41.31 89.14 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.162 -0.681 . . . . 65.34 109.162 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.094 -0.957 . . . . 73.14 110.52 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -69.9 -35.1 74.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.285 -0.416 . . . . 74.53 111.266 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -62.82 -38.05 89.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 121.338 0.589 . . . . 64.4 112.007 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -89.4 -30.12 18.58 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.601 -0.727 . . . . 75.55 112.671 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 45.03 1.52 Allowed Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.315 -0.945 . . . . 63.04 112.367 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 C--N 1.3 -1.544 0 N-CA-C 108.771 -0.826 . . . . 71.55 108.771 176.254 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.9 mt . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 109.37 -0.604 . . . . 43.22 109.37 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.96 136.07 34.09 Favored 'Trans proline' 0 C--O 1.254 1.308 0 C-N-CA 122.11 1.874 . . . . 73.12 111.353 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.12 67.37 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 116.102 -0.499 . . . . 73.3 111.054 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.27 -42.16 85.89 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.063 -0.517 . . . . 75.01 110.479 174.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.03 -37.6 47.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.287 -0.635 . . . . 60.1 109.287 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.01 -43.88 99.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.864 -0.607 . . . . 72.41 110.303 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.54 -43.59 89.44 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 108.985 -0.746 . . . . 75.51 108.985 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.54 99.48 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.938 -1.028 . . . . 62.24 110.467 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.97 -53.69 49.36 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 123.58 0.752 . . . . 74.13 109.289 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -71.89 -18.45 62.04 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.951 0.723 . . . . 53.1 112.951 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.86 -25.05 30.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.624 -0.262 . . . . 54.44 111.341 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.47 -41.28 7.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 122.335 1.064 . . . . 73.33 109.836 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.381 -3.891 0 CA-C-N 113.479 -1.692 . . . . 73.11 109.782 -173.681 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.206 -1.185 0 N-CA-C 110.741 -0.096 . . . . 35.0 110.741 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.85 90.18 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.939 0.4 . . . . 75.15 110.374 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -63.01 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 N-CA-C 108.6 -0.889 . . . . 53.54 108.6 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.12 -38.39 85.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 75.34 112.042 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 74.2 mm-40 -56.82 -48.34 78.21 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.994 -0.743 . . . . 72.43 108.994 174.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -65.22 -43.32 91.85 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.166 -0.924 . . . . 72.31 109.869 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.38 -45.37 84.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 71.53 110.087 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -64.39 -40.18 95.3 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.077 -0.51 . . . . 74.34 112.06 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -60.77 -38.23 84.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.476 0.655 . . . . 74.34 110.689 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -90.56 -11.98 38.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.587 0.958 . . . . 72.21 113.587 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.69 36.89 7.13 Favored Glycine 0 C--N 1.308 -0.997 0 C-N-CA 120.277 -0.963 . . . . 54.53 112.938 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.492 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 49.9 m-70 . . . . . 0 C--N 1.299 -1.59 0 N-CA-C 108.855 -0.794 . . . . 72.43 108.855 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 C--O 1.234 0.256 0 N-CA-C 110.107 -0.331 . . . . 72.45 110.107 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.33 137.39 80.23 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 122.513 2.142 . . . . 70.23 111.89 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.23 -27.06 63.59 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.151 -0.931 . . . . 75.14 110.77 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.58 -43.93 93.49 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 116.248 -0.433 . . . . 72.13 110.558 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.28 -41.06 57.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.92 -0.77 . . . . 71.54 108.92 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.0 -39.2 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.366 0.603 . . . . 75.2 110.526 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.8 -47.23 72.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.558 -0.746 . . . . 74.42 109.699 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.33 94.2 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.242 -0.89 . . . . 64.15 109.976 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -55.96 -55.56 31.22 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.289 1.036 . . . . 73.04 111.021 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -71.1 -25.76 62.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.659 -0.417 . . . . 71.11 112.038 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.54 71.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.067 0.461 . . . . 33.41 110.344 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.28 -48.1 8.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.707 -0.678 . . . . 64.31 112.558 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.262 1.755 0 CA-C-O 118.562 -0.732 . . . . 64.43 110.952 -177.25 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.271 0 CA-C-O 120.518 0.199 . . . . 71.42 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.81 86.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 116.137 -0.483 . . . . 54.4 110.633 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.31 -40.95 89.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 109.183 -0.673 . . . . 71.32 109.183 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -61.26 -43.57 98.67 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.86 -0.609 . . . . 71.41 111.439 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 35.9 mm-40 -58.11 -46.56 85.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 122.643 0.377 . . . . 71.1 110.7 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -64.78 -42.82 94.79 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.952 -0.758 . . . . 72.32 108.952 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.27 85.84 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.224 -0.898 . . . . 61.03 110.242 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.7 OUTLIER -62.6 -39.51 93.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 73.24 110.441 179.554 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.5 mmt180 -62.06 -44.8 95.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.372 0.606 . . . . 62.14 110.467 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.84 -28.42 44.33 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.187 -0.915 . . . . 75.04 112.331 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.59 22.2 8.26 Favored Glycine 0 C--N 1.307 -1.039 0 C-N-CA 120.317 -0.944 . . . . 74.0 112.058 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.8 m80 . . . . . 0 C--N 1.312 -1.05 0 N-CA-C 108.94 -0.763 . . . . 71.12 108.94 178.945 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.1 mt . . . . . 0 N--CA 1.43 -1.441 0 N-CA-C 107.263 -1.384 . . . . 72.43 107.263 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.81 133.97 51.0 Favored 'Trans proline' 0 C--O 1.251 1.155 0 C-N-CA 122.399 2.066 . . . . 61.5 111.629 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.46 -25.51 66.06 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-N 115.639 -0.709 . . . . 71.05 110.558 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.38 -40.67 91.67 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.255 0.622 . . . . 61.33 110.054 174.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.2 t -76.04 -38.29 34.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 N-CA-C 108.904 -0.776 . . . . 50.53 108.904 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.22 -42.1 94.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 115.97 -0.559 . . . . 61.41 110.477 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.04 -47.01 72.67 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.983 -0.553 . . . . 74.34 109.612 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.88 90.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 74.24 110.55 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.7 -56.24 21.32 Favored 'General case' 0 C--O 1.194 -1.829 0 C-N-CA 123.595 0.758 . . . . 73.01 109.619 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -72.38 -12.18 61.01 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.342 0.867 . . . . 63.14 113.342 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.64 -30.33 24.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.433 -0.349 . . . . 73.24 110.63 175.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.18 -36.57 10.41 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 122.429 1.109 . . . . 72.12 109.442 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m . . . . . 1 N--CA 1.377 -4.091 0 CA-C-N 113.119 -1.855 . . . . 70.21 108.978 -173.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.441 -0.893 0 N-CA-C 109.721 -0.474 . . . . 75.23 109.721 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.66 92.86 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.726 -0.67 . . . . 62.22 111.535 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.492 ' HB ' HD13 ' A' ' 100' ' ' ILE . 77.5 mt -67.92 -36.53 75.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.944 -0.391 . . . . 55.43 109.944 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HG3' HD11 ' A' ' 100' ' ' ILE . 59.8 mtp180 -67.47 -37.67 83.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.87 0.322 . . . . 72.15 111.87 177.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.9 mt-10 -63.1 -44.22 96.31 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.664 -0.495 . . . . 72.04 109.664 174.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -62.83 -43.72 98.05 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 115.639 -0.71 . . . . 74.43 109.215 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.84 0.856 . . . . 70.34 110.734 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -69.19 -33.96 74.17 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.558 -0.292 . . . . 71.41 111.559 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 10.4 mmm180 -62.95 -39.93 96.14 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.56 0.695 . . . . 64.2 111.002 176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.3 -26.86 22.06 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.205 -0.907 . . . . 74.54 112.893 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.23 28.83 3.94 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.401 -0.905 . . . . 61.15 113.539 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 . . . . . 0 C--N 1.309 -1.154 0 N-CA-C 109.636 -0.505 . . . . 73.21 109.636 179.308 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.492 HD13 ' HB ' ' A' ' 83' ' ' ILE . 14.7 mt . . . . . 0 N--CA 1.439 -0.987 0 N-CA-C 112.907 0.706 . . . . 64.23 112.907 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.54 145.82 48.12 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 122.393 2.062 . . . . 65.35 110.56 173.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.69 58.67 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 123.865 0.866 . . . . 73.21 110.807 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.39 -41.72 94.42 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.557 0.694 . . . . 64.43 110.679 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.87 -37.16 27.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.14 -0.689 . . . . 74.14 109.14 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.97 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 CA-C-N 115.964 -0.562 . . . . 72.21 110.155 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.2 -51.83 53.89 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.604 -0.726 . . . . 75.52 109.317 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.23 87.41 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.256 -0.884 . . . . 44.04 110.826 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -56.25 -56.96 14.59 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 115.927 -0.579 . . . . 74.31 110.19 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -70.61 -15.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.699 0.629 . . . . 62.32 112.699 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.84 -28.22 33.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.489 -0.323 . . . . 72.21 110.725 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.93 -27.38 13.62 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 122.148 0.975 . . . . 62.23 110.057 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.2 m . . . . . 1 N--CA 1.375 -4.184 0 CA-C-N 113.926 -1.488 . . . . 74.24 109.691 -172.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 109.385 -0.598 . . . . 64.03 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.54 83.2 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 116.009 -0.541 . . . . 63.14 111.325 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.5 mt -66.11 -39.65 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.431 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -68.32 -42.18 79.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.633 0.234 . . . . 74.24 111.633 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.49 -41.34 97.13 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 111.554 0.205 . . . . 71.12 111.554 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' ARG . 66.4 t90 -64.67 -41.45 96.07 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 109.167 -0.679 . . . . 75.13 109.167 177.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -56.59 -51.41 68.75 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.078 -0.964 . . . . 51.51 109.919 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -65.85 -30.75 71.41 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.751 -0.659 . . . . 74.04 112.443 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 86' ' ' TRP . 16.9 mmt85 -61.54 -44.7 96.58 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.557 0.694 . . . . 52.3 109.168 172.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -90.08 -7.87 52.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 114.269 1.211 . . . . 64.13 114.269 -174.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.3 4.34 50.29 Favored Glycine 0 C--N 1.306 -1.096 0 C-N-CA 120.589 -0.815 . . . . 73.31 113.673 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.521 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 72.8 m-70 . . . . . 0 C--N 1.3 -1.547 0 N-CA-C 107.578 -1.268 . . . . 63.51 107.578 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 109.547 -0.538 . . . . 71.04 109.547 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.71 131.84 48.07 Favored 'Trans proline' 0 C--O 1.247 0.97 0 C-N-CA 122.492 2.128 . . . . 74.02 111.439 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.58 67.54 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.22 0.608 . . . . 71.13 110.488 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.91 -41.65 92.16 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.646 -0.501 . . . . 64.44 109.646 175.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.86 -41.17 61.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.418 -0.586 . . . . 71.13 109.418 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.63 -45.31 98.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.708 -0.678 . . . . 74.23 110.482 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.7 -44.57 77.39 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.791 -0.641 . . . . 73.22 109.797 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.87 93.74 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.299 -0.864 . . . . 62.23 110.588 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -57.33 -56.55 20.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 123.532 0.733 . . . . 74.31 110.323 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -68.67 -17.36 64.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.333 0.864 . . . . 72.34 113.333 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.18 -35.6 16.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.832 0.348 . . . . 62.23 111.601 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.31 9.02 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 112.886 0.699 . . . . 60.34 112.886 -174.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.421 -1.889 0 N-CA-C 109.325 -0.62 . . . . 70.44 109.325 -174.926 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 110.613 -0.143 . . . . 75.12 110.613 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.48 99.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 O-C-N 123.244 0.34 . . . . 63.32 111.176 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.07 -43.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 109.345 -0.613 . . . . 74.23 109.345 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 54.8 mtp180 -63.82 -43.12 97.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 75.32 111.814 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 48.2 mt-10 -66.04 -39.76 90.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.667 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -63.15 -43.33 98.64 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.594 -0.891 . . . . 75.02 108.594 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.2 83.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.185 -0.916 . . . . 42.13 110.373 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 39.2 mmt180 -59.86 -44.33 94.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 71.43 110.616 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 99.5 mtt180 -63.47 -38.32 90.67 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.629 0.728 . . . . 74.13 112.025 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -90.08 -10.7 43.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.152 -0.931 . . . . 73.14 112.804 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.04 34.65 9.62 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.283 -0.96 . . . . 61.52 112.45 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 71.7 m80 . . . . . 0 C--N 1.304 -1.395 0 N-CA-C 109.598 -0.519 . . . . 60.34 109.598 177.882 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.427 -1.595 0 N-CA-C 108.13 -1.063 . . . . 72.12 108.13 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.67 136.56 54.53 Favored 'Trans proline' 0 C--O 1.254 1.313 0 C-N-CA 122.267 1.978 . . . . 70.33 111.341 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -29.42 65.49 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.997 0.919 . . . . 43.11 110.657 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.8 -43.86 94.24 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 124.023 0.827 . . . . 72.11 109.759 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.99 -40.79 59.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 114.996 -1.002 . . . . 63.44 109.054 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.63 -40.3 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.744 -0.662 . . . . 70.14 110.247 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.33 -49.19 67.81 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.546 -0.752 . . . . 75.04 109.908 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.4 98.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.106 -0.952 . . . . 55.44 110.459 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -57.02 -54.09 50.69 Favored 'General case' 0 C--O 1.198 -1.61 0 CA-C-N 115.598 -0.728 . . . . 72.52 109.827 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.33 -22.02 62.85 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.618 0.97 . . . . 72.03 113.618 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.03 39.33 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.768 -0.196 . . . . 75.0 111.363 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.6 -31.47 10.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 122.036 0.922 . . . . 60.11 110.566 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.391 -3.394 0 CA-C-N 114.564 -1.198 . . . . 71.34 111.108 -169.734 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 120.909 0.385 . . . . 43.25 109.983 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.73 94.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.561 -0.745 . . . . 35.54 111.704 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.02 -42.0 93.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.141 -0.689 . . . . 71.23 109.141 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -63.41 -44.77 93.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.002 -0.544 . . . . 73.41 111.111 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.44 -45.26 94.32 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.293 0.371 . . . . 74.51 111.049 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.78 -42.14 99.56 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.27 -0.641 . . . . 72.41 109.27 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -60.08 -48.45 81.66 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.525 -0.761 . . . . 74.4 110.186 177.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -68.16 -27.18 66.2 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 111.881 0.326 . . . . 70.41 111.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -71.89 -36.36 70.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.846 0.355 . . . . 75.33 110.909 174.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -90.43 -19.74 23.56 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.535 0.568 . . . . 74.44 112.535 -176.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.52 30.42 6.55 Favored Glycine 0 N--CA 1.439 -1.137 0 C-N-CA 121.136 -0.554 . . . . 63.22 112.551 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.435 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 73.4 m-70 . . . . . 0 C--N 1.311 -1.108 0 N-CA-C 108.471 -0.937 . . . . 71.44 108.471 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 109.709 -0.478 . . . . 64.03 109.709 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.5 130.74 36.93 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 122.783 2.322 . . . . 72.03 112.096 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -32.89 51.73 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 123.78 0.832 . . . . 71.11 111.307 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -45.82 78.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.178 0.591 . . . . 62.02 110.686 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.22 -33.54 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-N 115.994 -0.548 . . . . 61.54 109.576 -178.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.3 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.64 -40.1 76.71 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 110.085 -0.339 . . . . 75.54 110.085 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.57 95.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 72.01 110.177 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -60.05 -55.78 29.72 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.346 0.659 . . . . 72.03 110.634 177.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -67.06 -22.11 65.87 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 112.713 0.635 . . . . 60.24 112.713 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.4 20.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.725 0.298 . . . . 63.33 110.42 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.71 36.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.585 0.587 . . . . 60.53 112.585 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 118.572 -0.728 . . . . 64.11 110.29 -177.757 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 111.98 0.363 . . . . 74.3 111.98 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 t -107.8 102.37 11.59 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 109.851 -0.425 . . . . 75.23 109.851 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.87 136.55 3.58 Favored Glycine 0 N--CA 1.435 -1.399 0 CA-C-N 115.911 -0.586 . . . . 44.12 111.978 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m -106.98 2.64 25.32 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.564 0.697 . . . . 75.54 109.952 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.2 -117.04 5.74 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 115.883 -0.598 . . . . 71.04 112.432 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 60.99 84.49 0.13 Allowed 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 125.144 1.378 . . . . 71.54 113.064 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.54 -27.78 21.31 Favored Glycine 0 N--CA 1.427 -1.96 0 C-N-CA 119.298 -1.43 . . . . 71.22 110.695 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -96.5 143.99 27.01 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 112.54 0.57 . . . . 73.13 112.54 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.1 -149.63 14.7 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 110.099 -1.201 . . . . 51.53 110.099 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.46 -153.21 0.37 Allowed 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 117.358 0.579 . . . . 51.45 109.928 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mt -102.29 79.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 CA-C-O 122.6 1.19 . . . . 74.53 108.682 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -98.36 -21.82 16.41 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-N 112.672 -2.058 . . . . 75.44 109.239 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -112.99 -169.39 1.47 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.231 -1.025 . . . . 71.24 108.231 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.93 139.98 55.1 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 120.275 -0.57 . . . . 71.21 111.089 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.467 ' O ' HG13 ' A' ' 83' ' ' ILE . 84.9 mt-30 -57.28 -48.53 78.66 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.207 0.942 . . . . 73.33 110.39 -176.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 m -58.58 -45.93 88.0 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.772 -0.649 . . . . 72.32 111.204 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.56 95.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.228 -0.442 . . . . 40.53 110.255 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.13 87.21 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.495 -0.775 . . . . 40.25 111.25 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 79' ' ' GLN . 72.7 mt -64.64 -38.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.1 110.609 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -65.26 -43.42 91.34 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.746 -0.206 . . . . 64.55 111.326 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 60.6 mt-10 -63.98 -39.5 94.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.398 -0.521 . . . . 62.22 111.056 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -63.21 -44.7 94.57 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 108.789 -0.819 . . . . 74.31 108.789 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.06 -48.37 76.17 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 114.862 -1.063 . . . . 74.55 109.948 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -64.39 -39.08 93.15 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.86 0.318 . . . . 74.4 111.86 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 64.8 mtt180 -66.84 -27.73 67.77 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.993 0.425 . . . . 72.33 111.64 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -94.9 -12.87 26.06 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.562 0.578 . . . . 63.04 112.562 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.69 23.04 22.17 Favored Glycine 0 C--N 1.312 -0.764 0 C-N-CA 120.945 -0.645 . . . . 74.02 113.482 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -92.2 131.0 37.78 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.557 -0.905 . . . . 75.13 108.557 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -85.95 87.15 7.37 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.721 0.772 . . . . 72.52 111.551 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.7 t -105.11 99.3 8.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.465 -0.939 . . . . 74.32 108.465 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.7 t -168.64 -53.68 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.749 -0.834 . . . . 33.44 108.749 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.7 p -67.42 -30.51 70.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 114.002 1.112 . . . . 52.45 114.002 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -72.83 -15.91 61.61 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.224 0.453 . . . . 64.45 112.224 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.49 7.98 65.68 Favored Glycine 0 N--CA 1.464 0.565 0 CA-C-O 121.208 0.338 . . . . 65.11 112.414 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -154.12 161.29 41.99 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 104.984 -2.228 . . . . 71.34 104.984 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.1 mt -88.45 124.74 65.46 Favored Pre-proline 0 C--N 1.292 -1.927 0 N-CA-C 107.409 -1.33 . . . . 60.24 107.409 174.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.22 133.57 47.43 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 121.887 1.725 . . . . 71.2 110.985 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.15 -30.44 59.84 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 123.598 0.759 . . . . 70.13 111.036 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.67 -39.22 93.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.1 -0.954 . . . . 65.2 110.739 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -74.35 -37.97 46.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 108.794 -0.817 . . . . 60.24 108.794 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.91 -41.12 91.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.736 -0.666 . . . . 61.45 110.118 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.6 -48.55 69.2 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.97 -0.752 . . . . 71.31 108.97 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.53 87.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.076 -0.965 . . . . 54.02 110.316 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -54.87 -57.44 11.58 Favored 'General case' 0 C--O 1.201 -1.455 0 CA-C-N 115.89 -0.596 . . . . 65.12 110.249 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -68.16 -18.46 64.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.125 0.787 . . . . 73.24 113.125 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.01 30.83 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.368 -0.378 . . . . 71.14 111.371 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.89 -28.19 13.94 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 122.346 1.07 . . . . 62.43 109.543 -175.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.9 m . . . . . 0 N--CA 1.383 -3.787 0 CA-C-N 113.769 -1.559 . . . . 72.15 108.871 -172.491 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.407 0 CA-C-O 120.837 0.351 . . . . 73.35 110.82 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.0 m -123.08 -6.46 8.37 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.639 0.733 . . . . 75.14 109.69 176.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.32 -164.18 14.28 Favored Glycine 0 N--CA 1.425 -2.06 0 N-CA-C 109.55 -1.42 . . . . 71.24 109.55 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 m -121.13 -43.73 2.42 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 109.512 -0.551 . . . . 61.11 109.512 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.49 -157.39 50.74 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 110.533 -1.027 . . . . 70.44 110.533 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.88 -42.87 60.1 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.033 0.444 . . . . 74.24 110.814 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.57 99.88 0.64 Allowed Glycine 0 N--CA 1.428 -1.875 0 C-N-CA 120.299 -0.953 . . . . 73.2 111.274 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 65.62 -153.21 0.26 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 124.234 1.013 . . . . 73.04 110.371 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.38 -13.6 51.3 Favored Glycine 0 CA--C 1.498 -1.022 0 N-CA-C 108.152 -1.979 . . . . 73.54 108.152 -174.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.64 165.71 3.76 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 102.98 -2.97 . . . . 54.34 102.98 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 68.1 mt -94.59 128.27 45.96 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.99 0 N-CA-C 108.547 -0.908 . . . . 53.34 108.547 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.29 -35.38 21.53 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.704 -0.68 . . . . 73.0 110.914 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -82.93 173.41 11.83 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.917 -1.142 . . . . 74.33 107.917 175.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.37 130.77 44.32 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 106.906 -1.516 . . . . 74.5 106.906 169.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.577 ' O ' HG13 ' A' ' 83' ' ' ILE . 81.0 mt-30 -58.62 -41.82 86.81 Favored 'General case' 0 C--O 1.202 -1.401 0 O-C-N 123.937 0.773 . . . . 54.23 109.153 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -60.29 -45.57 92.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.869 -0.605 . . . . 74.12 110.317 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.93 -44.67 80.06 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.837 -0.62 . . . . 72.54 109.914 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.59 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.757 -0.656 . . . . 72.24 111.458 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 79' ' ' GLN . 80.2 mt -66.5 -43.12 91.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.505 -0.554 . . . . 73.54 109.505 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -61.6 -43.25 99.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.611 -0.268 . . . . 74.23 111.567 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 57.7 mt-10 -59.54 -49.47 77.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 65.11 110.422 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -60.3 -44.81 95.08 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.085 0.554 . . . . 65.12 109.716 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.9 82.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.429 -0.805 . . . . 75.4 110.649 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -74.64 -21.59 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.652 0.612 . . . . 74.1 112.652 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 34.8 mmt180 -79.54 -30.45 41.77 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.37 -0.532 . . . . 74.01 109.646 175.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -94.87 -17.07 22.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.156 1.169 . . . . 71.25 114.156 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.81 19.58 10.17 Favored Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.03 -1.081 . . . . 72.0 113.92 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -91.99 131.37 37.33 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.907 -0.775 . . . . 73.44 108.907 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -86.32 105.55 16.75 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.271 -0.422 . . . . 53.24 109.998 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.17 128.6 51.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 N-CA-C 109.475 -0.565 . . . . 71.22 109.475 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 t -87.98 119.72 28.62 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 115.757 -0.656 . . . . 71.14 111.131 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.75 -18.29 58.56 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 123.678 0.791 . . . . 64.3 110.598 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -90.22 -8.06 52.02 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 120.879 0.371 . . . . 73.22 111.47 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.37 -106.38 2.29 Favored Glycine 0 N--CA 1.44 -1.079 0 C-N-CA 120.755 -0.736 . . . . 54.14 111.267 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 100' ' ' ILE . 31.8 ttt180 -152.49 160.17 43.27 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 105.771 -1.937 . . . . 70.35 105.771 178.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.415 ' N ' ' HG2' ' A' ' 99' ' ' ARG . 52.5 mt -65.78 123.76 85.66 Favored Pre-proline 0 N--CA 1.435 -1.209 0 N-CA-C 106.616 -1.624 . . . . 65.34 106.616 172.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -59.24 132.29 45.9 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.02 1.813 . . . . 73.11 111.544 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.69 -30.63 65.64 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 123.817 0.847 . . . . 72.44 110.392 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.14 -40.3 95.47 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.704 1.202 . . . . 73.33 110.516 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.33 -41.28 50.41 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 108.899 -0.778 . . . . 71.44 108.899 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.403 -0.817 . . . . 74.52 109.737 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.19 -46.01 82.49 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.094 -0.957 . . . . 61.1 109.639 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.25 86.41 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.057 -0.974 . . . . 70.31 110.261 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 112' ' ' THR . 73.3 t80 -59.35 -56.37 22.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.542 0.737 . . . . 72.43 110.198 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -65.59 -24.29 67.04 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 112.335 0.495 . . . . 72.12 112.335 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.35 24.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.975 -0.557 . . . . 50.33 110.644 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.74 51.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.912 1.079 . . . . 73.42 113.912 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 108' ' ' TYR . 15.0 t . . . . . 0 N--CA 1.424 -1.761 0 C-N-CA 119.147 -1.021 . . . . 65.32 111.064 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 ttt . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.717 0.294 . . . . 61.42 111.364 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 m -132.28 104.28 6.67 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 109.036 -0.727 . . . . 62.04 109.036 -174.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.13 -61.52 4.68 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.775 -0.93 . . . . 71.31 110.775 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.7 m -92.05 150.98 20.67 Favored 'General case' 0 N--CA 1.424 -1.764 0 N-CA-C 109.388 -0.597 . . . . 72.14 109.388 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.63 60.93 2.38 Favored Glycine 0 N--CA 1.435 -1.399 0 N-CA-C 111.561 -0.616 . . . . 42.32 111.561 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -83.85 -27.33 28.78 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.045 0.45 . . . . 72.14 111.771 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.05 70.5 0.29 Allowed Glycine 0 N--CA 1.423 -2.173 0 C-N-CA 119.801 -1.19 . . . . 74.43 112.606 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -75.85 83.34 2.78 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.88 -66.46 3.9 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.424 -1.07 . . . . 72.32 110.424 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.7 -174.38 4.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.732 -0.84 . . . . 70.14 108.732 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 77' ' ' ARG . 4.4 mp -82.02 139.76 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.834 0 N-CA-C 108.223 -1.028 . . . . 75.22 108.223 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.39 -31.76 71.35 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.563 0.697 . . . . 73.3 111.423 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.517 ' H ' HG22 ' A' ' 75' ' ' ILE . 10.4 mmt85 -113.03 172.62 6.83 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.213 -0.903 . . . . 72.44 109.694 -176.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -73.18 146.1 45.83 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 105.696 -1.964 . . . . 71.15 105.696 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.536 ' O ' HG13 ' A' ' 83' ' ' ILE . 9.7 mm-40 -55.46 -46.96 76.78 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 113.387 0.884 . . . . 75.22 113.387 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -58.87 -41.63 87.56 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.944 0.402 . . . . 54.32 111.288 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.8 -43.79 74.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.221 -0.445 . . . . 64.12 109.811 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . . . -60.5 -45.91 92.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.481 -0.781 . . . . 41.52 110.875 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 79' ' ' GLN . 72.6 mt -64.25 -42.1 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 O-C-N 123.364 0.415 . . . . 63.32 110.347 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -60.8 -46.74 89.33 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.955 0.407 . . . . 74.34 111.049 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 43.4 mt-10 -65.16 -42.52 93.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.989 -0.55 . . . . 63.41 111.458 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.44 -42.9 97.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.924 -0.769 . . . . 71.42 108.924 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.37 -52.17 66.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.436 -0.802 . . . . 74.04 110.045 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -60.24 -40.81 91.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.616 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 82.4 mtt180 -69.65 -26.63 64.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.795 0.665 . . . . 74.44 112.795 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -89.63 -29.52 18.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.315 -0.402 . . . . 73.51 111.529 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.25 24.95 4.28 Favored Glycine 0 C--N 1.314 -0.683 0 C-N-CA 120.67 -0.776 . . . . 75.44 113.043 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.407 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 66.7 m-70 -99.5 124.38 44.61 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 107.315 -1.365 . . . . 74.02 107.315 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -89.7 93.07 9.32 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 122.004 0.906 . . . . 75.32 112.284 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.0 t -95.13 129.82 44.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 CA-C-N 114.427 -1.261 . . . . 71.01 108.256 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -93.46 160.25 14.88 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.029 -0.73 . . . . 51.24 109.029 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 p -89.97 4.52 49.86 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 121.492 0.663 . . . . 74.31 110.302 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -105.98 100.45 9.99 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 115.464 -0.789 . . . . 74.33 110.56 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.93 -113.4 1.95 Allowed Glycine 0 N--CA 1.419 -2.455 0 CA-C-N 114.971 -1.013 . . . . 72.35 110.646 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -143.14 174.78 10.4 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.852 -0.796 . . . . 73.55 108.852 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.9 mt -87.07 127.98 57.42 Favored Pre-proline 0 N--CA 1.425 -1.717 0 N-CA-C 105.645 -1.983 . . . . 72.12 105.645 172.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -60.15 128.6 26.95 Favored 'Trans proline' 0 C--O 1.245 0.867 0 C-N-CA 122.597 2.198 . . . . 54.01 112.023 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -27.19 65.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 53.55 111.849 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.63 -40.69 95.93 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.588 -0.523 . . . . 72.4 109.588 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.78 -39.22 68.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.776 -0.824 . . . . 74.22 108.776 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.58 -41.88 91.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.847 -0.615 . . . . 51.14 110.258 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.12 -46.23 74.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.894 -0.594 . . . . 72.13 110.084 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.93 91.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.399 -0.819 . . . . 73.15 110.18 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.422 ' CG ' HG12 ' A' ' 83' ' ' ILE . 58.5 t80 -54.64 -59.0 5.3 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.634 -0.712 . . . . 73.04 109.989 176.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -69.13 -17.29 63.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.546 0.573 . . . . 75.34 112.546 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.03 31.53 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 122.294 -0.254 . . . . 55.42 110.866 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.9 -42.59 9.96 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 122.419 1.104 . . . . 74.14 108.532 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 46.5 m . . . . . 1 N--CA 1.378 -4.062 0 CA-C-N 112.869 -1.969 . . . . 70.25 109.227 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 CA--C 1.518 -0.272 0 N-CA-C 108.466 -0.939 . . . . 74.34 108.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.2 m -69.29 114.79 7.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.02 0.438 . . . . 62.11 111.466 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.98 41.54 0.04 OUTLIER Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.409 -0.814 . . . . 61.2 111.468 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 m -106.62 158.04 17.24 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.277 -0.638 . . . . 72.35 109.277 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.1 56.3 4.96 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 121.531 -0.366 . . . . 71.12 113.535 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -134.4 18.41 3.66 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.617 -0.883 . . . . 71.51 108.617 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.03 113.17 3.61 Favored Glycine 0 N--CA 1.438 -1.19 0 CA-C-N 115.396 -0.82 . . . . 54.2 112.889 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 72' ' ' ARG . 36.1 mmt180 -122.04 83.82 2.16 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 122.147 0.975 . . . . 73.45 109.179 174.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.58 103.95 0.58 Allowed Glycine 0 C--N 1.28 -2.55 0 N-CA-C 107.993 -2.043 . . . . 51.11 107.993 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.44 149.22 43.27 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.774 0.797 . . . . 54.11 111.723 -176.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.5 mt -81.09 93.88 2.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 114.438 -1.256 . . . . 72.22 107.76 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.44 -51.41 63.28 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.626 -1.624 . . . . 73.33 110.454 -175.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -115.32 139.4 50.01 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.491 -1.67 . . . . 65.23 106.491 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.73 140.22 24.35 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 124.152 0.908 . . . . 73.21 111.923 -175.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.518 ' O ' HG13 ' A' ' 83' ' ' ILE . 54.7 mt-30 -61.55 -32.92 73.01 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 109.11 -0.7 . . . . 70.52 109.11 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 7.3 m -58.1 -47.18 84.02 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.568 -0.742 . . . . 70.22 110.315 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.28 77.96 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.724 -0.473 . . . . 62.14 109.724 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.79 91.43 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.722 -0.672 . . . . 72.22 111.198 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 79' ' ' GLN . 71.8 mt -66.31 -44.38 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.919 -0.4 . . . . 74.34 109.919 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HG2' HG11 ' A' ' 94' ' ' VAL . 52.1 mtt180 -62.26 -40.95 97.9 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.265 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.6 mt-10 -66.34 -39.68 89.35 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.832 0.678 . . . . 74.32 112.832 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -63.81 -43.0 97.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.167 -1.049 . . . . 74.21 108.167 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.52 -45.35 85.11 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.559 -1.201 . . . . 62.21 110.574 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -69.7 -30.6 68.27 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.287 -0.415 . . . . 73.22 112.073 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.9 mmt-85 -69.82 -38.63 76.64 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.226 -0.59 . . . . 71.13 109.665 176.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.42 -12.36 40.46 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.458 0.91 . . . . 75.02 113.458 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.11 35.01 6.87 Favored Glycine 0 C--N 1.313 -0.737 0 C-N-CA 120.862 -0.685 . . . . 51.23 114.284 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.492 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 39.9 m-70 -94.58 145.92 24.48 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 117.321 0.56 . . . . 73.54 109.669 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -88.13 94.39 9.8 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.958 -0.565 . . . . 73.44 109.593 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.419 HG11 ' HG2' ' A' ' 84' ' ' ARG . 84.2 t -106.79 124.41 62.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 116.056 -0.52 . . . . 55.41 110.187 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 t -65.27 132.21 48.48 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 115.538 -0.756 . . . . 53.41 109.598 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.6 p -78.17 -35.53 48.63 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 108.728 -0.842 . . . . 71.42 108.728 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -87.35 110.29 20.14 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.745 -1.116 . . . . 73.33 108.972 176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.11 -157.47 14.92 Favored Glycine 0 C--N 1.289 -2.043 0 C-N-CA 120.342 -0.932 . . . . 73.22 111.92 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -91.91 172.68 8.29 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.469 0.652 . . . . 70.45 111.88 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt -90.81 133.8 31.67 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 107.365 -1.346 . . . . 71.43 107.365 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.07 128.54 30.63 Favored 'Trans proline' 0 C--O 1.261 1.626 0 C-N-CA 122.118 1.879 . . . . 70.42 111.492 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.55 -28.26 44.48 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.712 0.805 . . . . 74.43 112.219 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.31 -37.17 77.65 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 120.523 0.201 . . . . 55.44 110.808 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.3 t -70.73 -38.79 74.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 N-CA-C 108.427 -0.953 . . . . 65.41 108.427 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.77 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.199 -0.909 . . . . 54.53 109.825 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.33 -47.53 76.19 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.497 -0.774 . . . . 65.4 109.541 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.39 93.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.04 -0.982 . . . . 65.31 110.807 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 83' ' ' ILE . 92.4 t80 -59.73 -53.29 59.68 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 123.074 0.55 . . . . 74.53 110.086 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -72.55 -13.89 61.51 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.8 0.667 . . . . 72.03 112.8 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.89 -50.5 11.11 Favored 'General case' 0 N--CA 1.433 -1.293 0 N-CA-C 108.68 -0.859 . . . . 72.24 108.68 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.87 64.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.337 -0.847 . . . . 53.43 111.94 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.421 -1.918 0 CA-C-O 117.689 -1.148 . . . . 74.34 110.195 -178.12 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 C--O 1.243 0.734 0 CA-C-O 121.242 0.544 . . . . 54.34 109.606 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 m -139.25 160.27 40.21 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.231 -0.895 . . . . 73.11 108.955 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.87 -124.08 7.38 Favored Glycine 0 N--CA 1.439 -1.141 0 C-N-CA 121.275 -0.488 . . . . 51.43 112.578 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -65.58 -43.08 90.89 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.379 0.609 . . . . 71.53 109.863 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.43 102.86 2.24 Favored Glycine 0 N--CA 1.417 -2.597 0 CA-C-N 115.28 -0.873 . . . . 74.13 111.426 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -120.63 138.47 53.9 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 106.924 -1.51 . . . . 74.51 106.924 174.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.56 113.63 3.88 Favored Glycine 0 N--CA 1.422 -2.293 0 N-CA-C 110.721 -0.952 . . . . 73.23 110.721 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -73.9 -39.18 64.06 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.643 -0.873 . . . . 62.53 108.643 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.21 -79.56 0.03 OUTLIER Glycine 0 N--CA 1.428 -1.899 0 CA-C-N 114.988 -1.006 . . . . 73.23 110.828 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.79 164.08 13.13 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.123 0.487 . . . . 63.12 110.826 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.425 ' HB ' ' HG2' ' A' ' 79' ' ' GLN . 76.4 mt -80.45 131.1 34.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 115.15 -0.932 . . . . 74.45 109.158 -177.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.478 ' OD1' ' HG3' ' A' ' 77' ' ' ARG . 19.5 t70 -83.52 -60.21 2.2 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.96 -0.564 . . . . 60.04 110.77 -173.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.478 ' HG3' ' OD1' ' A' ' 76' ' ' ASP . 72.2 mtt180 -117.32 148.82 41.37 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 120.954 0.407 . . . . 72.35 111.926 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 59.25 52.34 6.13 Favored 'General case' 0 C--O 1.254 1.322 0 C-N-CA 125.252 1.421 . . . . 72.21 114.339 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.596 ' O ' HG13 ' A' ' 83' ' ' ILE . 71.8 mt-30 -61.14 -34.04 74.36 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.826 -0.624 . . . . 72.1 110.757 175.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 11.5 m -59.18 -45.95 89.68 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 123.314 0.384 . . . . 65.34 110.087 177.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.12 99.02 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.646 -0.502 . . . . 62.42 109.646 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.81 81.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.748 -0.66 . . . . 41.24 111.339 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 79' ' ' GLN . 71.3 mt -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.792 -0.447 . . . . 74.52 109.792 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 80' ' ' SER . 55.6 mtp180 -62.72 -44.09 97.12 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.777 -0.647 . . . . 75.25 110.28 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 69.3 mm-40 -59.43 -49.55 77.36 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.107 -0.951 . . . . 71.02 110.338 175.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.6 -43.23 84.52 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.652 0.781 . . . . 75.51 109.599 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -54.04 50.6 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.147 -0.933 . . . . 73.12 110.641 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -60.12 -38.17 82.22 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.995 -0.548 . . . . 74.41 111.839 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 72.6 mtt180 -71.57 -27.67 63.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.12 -0.491 . . . . 70.45 112.116 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.95 -15.19 25.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.609 0.596 . . . . 73.21 112.609 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 23.05 10.89 Favored Glycine 0 C--N 1.309 -0.947 0 C-N-CA 120.609 -0.805 . . . . 54.23 113.21 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -91.95 129.7 37.86 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 107.52 -1.289 . . . . 72.43 107.52 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -81.15 88.05 6.03 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 122.125 0.964 . . . . 54.14 112.891 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.31 131.82 69.98 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 105.514 -2.032 . . . . 72.24 105.514 172.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.4 t -85.4 148.21 26.12 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-O 121.285 0.564 . . . . 72.54 110.524 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.2 p -74.37 -12.19 60.45 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 115.379 -0.828 . . . . 63.45 109.405 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -110.83 8.99 22.52 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.16 -0.927 . . . . 63.02 109.463 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.49 169.7 15.73 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.825 -0.702 . . . . 60.24 111.725 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -89.31 161.6 16.28 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.899 -0.778 . . . . 72.32 108.899 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.94 128.76 59.07 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 111.278 0.103 . . . . 74.5 111.278 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -73.91 141.39 30.06 Favored 'Trans proline' 0 C--O 1.261 1.641 0 C-N-CA 122.295 1.997 . . . . 73.02 110.622 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.07 -29.51 63.52 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.621 0.768 . . . . 62.13 111.764 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.49 -40.36 94.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.116 0.484 . . . . 74.34 110.563 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.83 -35.76 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.777 -0.647 . . . . 53.11 109.601 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.74 -40.68 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.588 0.709 . . . . 73.33 109.5 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.19 -51.62 62.9 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.031 -0.986 . . . . 75.23 110.425 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.59 95.37 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.215 -0.902 . . . . 44.4 110.255 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.416 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.2 t80 -53.9 -54.49 38.04 Favored 'General case' 0 C--O 1.196 -1.724 0 CA-C-N 115.713 -0.676 . . . . 62.13 110.408 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.98 -22.22 62.21 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.954 0.724 . . . . 74.51 112.954 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.29 49.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.427 -0.351 . . . . 63.21 110.938 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.77 -41.78 5.81 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 122.236 1.017 . . . . 73.33 110.025 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.4 m . . . . . 0 N--CA 1.387 -3.599 0 CA-C-N 113.554 -1.657 . . . . 54.31 110.141 -172.593 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.639 0.257 . . . . 74.2 110.706 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -119.18 101.17 7.8 Favored 'General case' 0 N--CA 1.41 -2.436 0 CA-C-O 121.237 0.541 . . . . 51.31 109.57 -175.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.33 85.63 0.39 Allowed Glycine 0 N--CA 1.421 -2.302 0 N-CA-C 109.954 -1.258 . . . . 64.4 109.954 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.6 m -147.07 3.46 0.8 Allowed 'General case' 0 C--N 1.304 -1.37 0 O-C-N 122.552 -0.381 . . . . 71.15 110.927 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.21 98.16 1.14 Allowed Glycine 0 N--CA 1.434 -1.486 0 CA-C-N 115.947 -0.569 . . . . 74.33 111.802 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -111.92 -61.66 1.68 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.9 0.35 . . . . 74.25 110.354 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.42 -36.96 89.79 Favored Glycine 0 CA--C 1.507 -0.454 0 N-CA-C 111.312 -0.715 . . . . 72.4 111.312 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -143.17 -176.2 4.83 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 106.825 -1.546 . . . . 75.12 106.825 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.66 44.12 2.26 Favored Glycine 0 C--N 1.306 -1.107 0 N-CA-C 109.277 -1.529 . . . . 63.25 109.277 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.01 164.04 12.28 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 123.349 0.66 . . . . 74.31 109.515 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.0 mt -92.63 139.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 108.571 -0.9 . . . . 72.33 108.571 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.3 -46.57 89.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.267 0.556 . . . . 61.54 110.482 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.16 -178.43 3.74 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.817 -0.629 . . . . 74.54 109.311 175.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 154.65 41.08 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 120.784 0.326 . . . . 71.31 111.412 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.474 ' O ' HG13 ' A' ' 83' ' ' ILE . 74.0 mt-30 -57.69 -47.6 81.9 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.634 -1.247 . . . . 63.15 107.634 174.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 m -59.02 -41.04 86.82 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 114.034 -1.439 . . . . 72.44 110.435 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.41 84.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.971 -0.558 . . . . 61.2 110.548 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.73 92.22 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.921 -0.581 . . . . 74.32 110.819 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 79' ' ' GLN . 72.9 mt -66.19 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.424 -0.584 . . . . 73.24 109.424 177.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -63.75 -38.54 91.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 63.14 111.36 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 45.4 mt-10 -63.19 -45.34 92.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.373 -0.376 . . . . 65.4 110.595 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.01 -44.31 97.6 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.839 -0.8 . . . . 71.11 108.839 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -55.69 -51.04 68.63 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.175 -0.921 . . . . 72.44 109.701 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' NH2' ' HG2' ' A' ' 85' ' ' GLU . 49.6 mtm180 -61.35 -38.78 88.16 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.925 -0.58 . . . . 73.3 112.418 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 16.2 mmt180 -66.64 -38.41 86.83 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.895 0.378 . . . . 73.52 110.897 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -90.73 -9.31 47.14 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 113.065 0.765 . . . . 74.41 113.065 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.33 30.93 8.75 Favored Glycine 0 C--N 1.312 -0.77 0 C-N-CA 120.646 -0.788 . . . . 40.45 113.261 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.454 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 63.3 m-70 -99.14 121.87 41.6 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 107.193 -1.41 . . . . 73.31 107.193 176.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -81.9 79.62 8.39 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 121.498 0.666 . . . . 64.3 110.979 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.0 t -102.63 94.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 115.231 -0.895 . . . . 74.13 109.021 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.4 t 175.79 -19.35 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.305 1.042 . . . . 45.33 109.102 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 p -64.0 -33.33 75.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.505 0.669 . . . . 72.45 111.188 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -131.43 129.98 41.94 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.745 -1.946 . . . . 64.41 105.745 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.23 43.48 0.54 Allowed Glycine 0 CA--C 1.531 1.08 0 N-CA-C 118.498 2.159 . . . . 74.33 118.498 -167.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -151.83 160.11 43.66 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 123.511 0.724 . . . . 43.32 109.096 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt -91.42 122.19 66.37 Favored Pre-proline 0 C--N 1.298 -1.663 0 N-CA-C 109.216 -0.661 . . . . 73.32 109.216 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -64.37 134.04 40.13 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.529 2.153 . . . . 73.24 111.574 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.4 -27.65 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.341 0.657 . . . . 75.24 111.002 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -41.52 98.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.954 -0.566 . . . . 73.43 110.539 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.5 t -74.73 -36.95 41.76 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 N-CA-C 109.357 -0.609 . . . . 71.3 109.357 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 77.8 mt -64.02 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.943 -0.572 . . . . 63.34 110.172 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.1 -40.19 71.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.983 -0.553 . . . . 73.11 110.154 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.41 96.05 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-N 115.992 -0.549 . . . . 45.12 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 70.2 t80 -53.96 -57.29 11.56 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.959 -1.018 . . . . 70.21 109.474 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -67.31 -22.57 65.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.339 0.866 . . . . 61.33 113.339 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.91 -20.97 34.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.736 -0.211 . . . . 32.44 111.424 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.2 -40.23 7.67 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.569 1.176 . . . . 42.21 109.503 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 1 N--CA 1.374 -4.237 0 CA-C-N 113.105 -1.862 . . . . 71.52 110.091 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 C--O 1.238 0.483 0 CA-C-O 119.695 -0.193 . . . . 72.41 111.514 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.5 m 63.29 179.96 0.15 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.966 0.906 . . . . 43.13 111.538 -176.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.15 47.68 0.25 Allowed Glycine 0 C--N 1.312 -0.795 0 C-N-CA 120.099 -1.048 . . . . 63.44 111.48 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m -86.65 -10.69 53.27 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 120.95 0.405 . . . . 64.23 111.522 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -86.0 73.35 2.56 Favored Glycine 0 N--CA 1.432 -1.61 0 N-CA-C 110.448 -1.061 . . . . 63.04 110.448 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -83.14 107.69 15.88 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.421 0.629 . . . . 63.52 111.76 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.36 110.82 1.93 Allowed Glycine 0 N--CA 1.426 -2.013 0 N-CA-C 107.194 -2.362 . . . . 24.41 107.194 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -114.19 -53.86 2.63 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 120.17 -0.612 . . . . 73.41 111.308 -173.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 107.56 -45.97 1.23 Allowed Glycine 0 C--N 1.307 -1.046 0 N-CA-C 108.911 -1.675 . . . . 70.11 108.911 -173.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.17 168.65 15.58 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.608 -0.886 . . . . 21.42 108.608 173.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.6 mt -104.65 116.47 48.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.013 0 CA-C-O 121.564 0.697 . . . . 72.35 111.386 -174.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -114.52 -46.28 2.97 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 114.466 -1.243 . . . . 71.35 107.683 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -106.72 168.58 9.08 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.153 -1.425 . . . . 73.4 107.153 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -71.05 141.37 50.91 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 120.75 -0.38 . . . . 73.13 111.278 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.516 ' O ' HG13 ' A' ' 83' ' ' ILE . 57.5 mt-30 -64.4 -38.09 89.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.94 -0.763 . . . . 75.3 108.94 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -62.67 -39.09 92.82 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.938 -0.574 . . . . 75.35 109.869 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -64.72 -46.11 83.69 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.712 -0.676 . . . . 62.42 109.485 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.76 89.56 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 123.782 0.676 . . . . 73.55 111.145 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.1 mt -62.56 -42.58 96.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 110.202 -0.296 . . . . 74.34 110.202 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -60.77 -46.02 92.08 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.023 0.439 . . . . 73.02 110.861 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 8.9 mm-40 -60.87 -48.98 79.32 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.16 -0.927 . . . . 73.44 110.014 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -60.0 -43.59 95.09 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.17 0.588 . . . . 73.53 109.64 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.07 81.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.658 -0.701 . . . . 61.1 110.421 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -74.66 -24.63 58.84 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.291 0.848 . . . . 64.12 113.291 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.4 mmt180 -71.76 -37.57 70.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.089 -0.708 . . . . 61.54 109.089 174.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -89.85 -21.4 22.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.833 1.049 . . . . 65.21 113.833 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.08 24.6 6.49 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.912 -1.137 . . . . 64.11 113.652 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -94.16 143.8 26.06 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 107.459 -1.312 . . . . 70.34 107.459 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -93.43 113.34 25.47 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.063 0.459 . . . . 72.22 110.117 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.0 t -86.08 144.66 9.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 106.87 -1.53 . . . . 44.41 106.87 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.553 ' HB3' ' O ' ' A' ' 99' ' ' ARG . 45.3 t -65.14 127.22 30.75 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-O 121.36 0.6 . . . . 70.4 111.649 -176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -6.84 50.11 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.004 0.921 . . . . 63.12 109.896 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -77.97 -15.97 58.53 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.278 -0.874 . . . . 64.12 109.284 175.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.24 37.37 4.36 Favored Glycine 0 N--CA 1.433 -1.529 0 C-N-CA 120.708 -0.758 . . . . 71.51 111.987 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 95' ' ' SER . 62.2 ttt180 -130.63 133.92 46.54 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.456 -0.942 . . . . 72.01 108.456 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.1 mt -91.91 122.83 64.63 Favored Pre-proline 0 C--N 1.285 -2.227 0 N-CA-C 107.919 -1.141 . . . . 63.54 107.919 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -63.39 130.94 30.02 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 121.758 1.638 . . . . 71.14 111.08 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.36 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.373 0.669 . . . . 65.44 110.492 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.45 -41.95 90.87 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.515 -0.766 . . . . 65.23 109.583 175.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.77 -38.51 44.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-N 115.589 -0.732 . . . . 65.04 109.279 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.77 -42.57 92.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 116.039 -0.528 . . . . 73.32 110.162 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.63 -47.81 71.43 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 115.926 -0.579 . . . . 50.13 109.685 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.85 82.12 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.171 0.919 . . . . 54.03 110.555 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -54.54 -59.39 4.77 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 123.695 0.798 . . . . 74.15 110.335 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -67.29 -19.7 65.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.513 0.931 . . . . 63.23 113.513 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.72 -27.35 29.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.446 -0.343 . . . . 53.12 111.361 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.99 -29.19 13.43 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 122.207 1.003 . . . . 65.22 109.892 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.384 -3.729 0 CA-C-N 113.748 -1.569 . . . . 65.53 109.48 -172.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 109.837 -0.431 . . . . 50.2 109.837 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.7 t -84.32 83.73 7.88 Favored 'General case' 0 N--CA 1.432 -1.325 0 N-CA-C 108.488 -0.93 . . . . 64.24 108.488 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.96 -7.68 67.98 Favored Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.812 -0.915 . . . . 72.12 110.812 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.7 m -131.03 157.43 43.05 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 107.693 -1.225 . . . . 73.02 107.693 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.09 76.49 0.11 Allowed Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.28 -0.962 . . . . 73.13 112.122 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -59.53 107.27 0.56 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.583 0.706 . . . . 74.53 109.605 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.52 -31.8 1.51 Allowed Glycine 0 C--N 1.292 -1.903 0 N-CA-C 107.596 -2.202 . . . . 75.22 107.596 -174.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -93.59 98.26 11.04 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 114.517 -0.842 . . . . 71.41 109.208 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.42 32.44 1.75 Allowed Glycine 0 N--CA 1.434 -1.457 0 N-CA-C 110.52 -1.032 . . . . 72.25 110.52 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.88 -178.88 3.78 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.011 -0.737 . . . . 74.13 109.011 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 77' ' ' ARG . 15.3 mt -89.46 81.68 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-O 122.688 1.232 . . . . 54.23 108.802 -174.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.8 -29.7 67.06 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 113.279 -1.782 . . . . 64.45 111.462 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 75' ' ' ILE . 99.1 mtt180 -125.11 -165.62 1.43 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.914 -1.143 . . . . 72.43 107.914 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -76.67 150.59 36.35 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.379 -0.971 . . . . 63.32 108.379 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.552 ' O ' HG13 ' A' ' 83' ' ' ILE . 14.8 mm-40 -68.88 -36.96 78.7 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.285 -0.635 . . . . 71.04 109.285 176.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -61.97 -39.31 91.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.277 -0.874 . . . . 71.32 109.669 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . -66.87 -39.44 87.54 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.267 -0.642 . . . . 74.0 109.267 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.94 97.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.915 -0.584 . . . . 74.02 110.687 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.5 mt -60.37 -44.2 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.312 -0.625 . . . . 75.33 109.312 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.69 -45.11 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.348 -0.842 . . . . 73.12 111.782 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 34.6 mt-10 -69.43 -37.41 77.41 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.023 -0.535 . . . . 70.24 111.366 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -64.0 -42.79 97.05 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 108.53 -0.915 . . . . 74.21 108.53 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.34 -49.55 75.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.596 -1.184 . . . . 73.42 110.629 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -69.59 -27.31 65.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.825 0.676 . . . . 64.54 112.825 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -70.93 -33.63 70.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.229 0.538 . . . . 75.11 111.359 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.65 -17.2 30.54 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.602 0.593 . . . . 72.13 112.602 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 12.43 33.91 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.907 -0.664 . . . . 70.22 113.695 175.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.446 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 75.8 m-70 -73.02 147.04 45.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 117.086 0.443 . . . . 54.04 109.859 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -91.75 88.04 6.52 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.835 -0.802 . . . . 63.4 108.835 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.3 t -109.16 112.4 40.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 CA-C-N 115.89 -0.596 . . . . 63.53 109.661 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.2 t -75.56 139.42 42.11 Favored 'General case' 0 N--CA 1.409 -2.481 0 N-CA-C 108.759 -0.83 . . . . 33.43 108.759 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 p -78.85 -11.78 60.0 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-O 121.73 0.776 . . . . 71.31 109.891 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -96.53 120.71 37.34 Favored 'General case' 0 N--CA 1.422 -1.856 0 N-CA-C 107.663 -1.236 . . . . 73.02 107.663 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.444 ' C ' ' HD2' ' A' ' 99' ' ' ARG . . . 102.51 -136.54 12.88 Favored Glycine 0 N--CA 1.425 -2.044 0 N-CA-C 110.714 -0.954 . . . . 50.2 110.714 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.444 ' HD2' ' C ' ' A' ' 98' ' ' GLY . 3.9 mpt_? -123.86 166.82 14.99 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.811 0.305 . . . . 65.31 110.538 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.77 132.55 54.22 Favored Pre-proline 0 C--N 1.312 -1.024 0 N-CA-C 109.16 -0.681 . . . . 75.14 109.16 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.62 134.4 47.37 Favored 'Trans proline' 0 C--O 1.253 1.257 0 C-N-CA 122.4 2.066 . . . . 62.34 112.084 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.25 68.66 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.642 0.777 . . . . 61.14 110.529 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -38.23 85.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.208 -0.451 . . . . 62.24 110.688 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.58 -39.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.249 -0.649 . . . . 64.33 109.249 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.78 -45.55 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.833 -0.621 . . . . 72.14 110.3 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.888 -0.596 . . . . 61.5 110.086 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.37 91.12 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.315 -0.857 . . . . 74.24 110.149 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.51 ' O ' HG22 ' A' ' 112' ' ' THR . 86.6 t80 -58.29 -56.34 23.29 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.468 0.707 . . . . 72.35 110.44 177.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -67.08 -19.05 65.59 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 113.011 0.745 . . . . 71.43 113.011 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.15 -41.7 13.57 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.752 0.311 . . . . 50.53 111.166 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.62 -46.26 22.64 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 113.507 0.929 . . . . 44.31 113.507 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 108' ' ' TYR . 10.5 t . . . . . 0 N--CA 1.429 -1.504 0 C-N-CA 120.002 -0.679 . . . . 74.25 109.346 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.507 -0.706 0 N-CA-C 108.429 -0.952 . . . . 62.43 108.429 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.1 m -150.0 110.58 4.25 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.067 0.46 . . . . 74.41 110.691 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.64 119.46 6.25 Favored Glycine 0 N--CA 1.426 -2.024 0 N-CA-C 109.957 -1.257 . . . . 54.4 109.957 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.0 p -146.06 -75.5 0.21 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 109.222 -0.659 . . . . 41.42 109.222 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.57 115.25 0.57 Allowed Glycine 0 N--CA 1.41 -3.096 0 CA-C-N 115.537 -0.756 . . . . 65.14 111.655 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -102.92 144.3 31.39 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.116 -1.438 . . . . 50.31 107.116 176.738 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.87 -83.76 0.05 OUTLIER Glycine 0 CA--C 1.492 -1.377 0 C-N-CA 119.895 -1.145 . . . . 75.02 112.967 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 72' ' ' ARG . 35.1 mmt180 72.56 117.07 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 124.205 1.002 . . . . 75.13 113.598 -176.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.43 -51.95 4.47 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.948 -1.024 . . . . 54.44 114.189 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.47 168.86 8.88 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.476 0.655 . . . . 65.13 111.314 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 60.5 mt -99.02 141.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-N 114.975 -1.011 . . . . 70.02 108.492 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.48 -46.83 81.36 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 123.976 0.797 . . . . 62.31 111.977 -176.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -131.22 -156.39 0.75 Allowed 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.343 -0.614 . . . . 74.04 109.343 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -56.35 145.77 26.17 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.663 0.785 . . . . 64.2 110.218 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.459 ' O ' HG13 ' A' ' 83' ' ' ILE . 49.5 mt-30 -54.86 -60.02 3.94 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 123.805 0.691 . . . . 71.25 111.163 -178.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 m -61.31 -37.44 83.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.785 -0.643 . . . . 64.2 111.37 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.2 85.67 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.375 -0.375 . . . . 73.43 110.404 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.17 85.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.033 -0.53 . . . . 70.14 111.287 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.4 mt -65.26 -43.07 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 109.399 -0.593 . . . . 72.21 109.399 177.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 34.8 mtp180 -62.08 -48.07 81.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.358 -0.837 . . . . 75.23 111.382 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -72.84 -28.3 62.45 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.849 -0.614 . . . . 72.34 112.229 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.9 -40.91 95.83 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 107.896 -1.15 . . . . 63.43 107.896 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -59.58 -43.76 93.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.976 -1.011 . . . . 55.32 109.754 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 1.1 mmp_? -62.22 -45.3 93.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.37 -0.377 . . . . 61.14 110.365 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -59.9 -35.58 75.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.66 0.743 . . . . 74.14 110.541 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -95.29 -9.49 32.93 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 114.128 1.158 . . . . 55.22 114.128 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.55 35.37 10.51 Favored Glycine 0 C--N 1.312 -0.773 0 C-N-CA 119.982 -1.104 . . . . 72.35 112.54 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.479 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 62.8 m80 -99.24 159.89 14.67 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.933 -0.766 . . . . 72.54 108.933 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -113.7 107.26 15.52 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.462 0.649 . . . . 53.55 111.49 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.22 130.37 71.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.94 -1.133 . . . . 60.15 107.94 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.6 t -73.79 137.06 43.66 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 123.392 0.433 . . . . 64.43 110.04 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 p -89.98 -6.29 55.8 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-O 121.424 0.63 . . . . 64.2 109.796 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -86.01 -52.56 5.62 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.263 -0.643 . . . . 75.13 109.263 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.84 -145.43 11.44 Favored Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.415 -0.812 . . . . 60.22 112.013 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -99.72 -178.53 3.9 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.702 -0.481 . . . . 72.33 109.702 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -90.58 125.87 58.06 Favored Pre-proline 0 N--CA 1.422 -1.873 0 N-CA-C 107.691 -1.225 . . . . 74.51 107.691 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.46 134.33 57.7 Favored 'Trans proline' 0 C--O 1.252 1.19 0 C-N-CA 122.238 1.959 . . . . 64.42 111.059 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.44 62.57 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 115.672 -0.694 . . . . 61.4 110.969 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -61.61 -39.9 92.91 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.475 -0.329 . . . . 72.24 110.447 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.9 t -75.71 -39.84 39.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 N-CA-C 109.369 -0.604 . . . . 53.42 109.369 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.81 -43.4 97.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.385 0.612 . . . . 75.11 109.904 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.33 -45.7 79.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.381 -0.827 . . . . 73.21 110.033 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.67 91.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.286 -0.87 . . . . 74.51 110.479 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.72 -57.22 13.71 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.917 0.887 . . . . 71.21 110.023 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -66.12 -23.64 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.159 0.429 . . . . 64.0 112.159 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.19 -30.93 43.66 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 122.328 -0.232 . . . . 61.44 110.893 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.72 -51.07 6.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.454 0.538 . . . . 41.42 112.454 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.256 1.407 0 N-CA-C 109.106 -0.702 . . . . 63.14 109.106 -178.559 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.8 mtt . . . . . 0 CA--C 1.5 -0.964 0 CA-C-O 121.188 0.518 . . . . 63.32 110.204 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.3 m -150.54 145.46 25.97 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.188 -1.412 . . . . 62.03 107.188 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.43 77.99 1.96 Allowed Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 120.452 -0.88 . . . . 62.02 111.225 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.0 p -60.56 -57.32 13.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.557 0.694 . . . . 71.42 110.014 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -162.07 137.71 5.01 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 108.69 -1.764 . . . . 54.14 108.69 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -84.24 -68.27 0.73 Allowed 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.175 0.512 . . . . 75.12 109.743 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.18 -155.57 49.21 Favored Glycine 0 N--CA 1.43 -1.702 0 N-CA-C 110.871 -0.891 . . . . 75.22 110.871 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -89.12 -31.91 17.77 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 106.889 -1.523 . . . . 72.12 106.889 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.45 -131.36 10.62 Favored Glycine 0 N--CA 1.413 -2.897 0 N-CA-C 108.302 -1.919 . . . . 63.53 108.302 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.27 158.48 44.12 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 107.634 -1.247 . . . . 64.22 107.634 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.6 mt -83.87 94.55 3.51 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 N-CA-C 107.187 -1.412 . . . . 71.13 107.187 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.6 -45.94 9.98 Favored 'General case' 0 C--N 1.279 -2.493 0 CA-C-N 114.272 -1.331 . . . . 71.5 110.173 -175.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -94.94 177.33 5.93 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.049 -1.093 . . . . 74.33 108.049 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.18 151.0 28.21 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 110.146 -0.316 . . . . 73.43 110.146 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.578 ' O ' HG13 ' A' ' 83' ' ' ILE . 71.8 mt-30 -68.39 -28.59 67.24 Favored 'General case' 0 C--O 1.208 -1.085 0 C-N-CA 120.073 -0.651 . . . . 72.33 109.318 177.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m -62.44 -39.45 93.41 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.642 -0.708 . . . . 71.11 109.657 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.01 -37.67 81.71 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.04 -0.726 . . . . 74.44 109.04 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.76 88.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 74.34 110.754 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.4 mt -64.41 -42.56 95.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.379 -0.6 . . . . 61.24 109.379 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -59.39 -46.43 88.71 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.928 -0.578 . . . . 71.22 110.897 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.1 mm-40 -59.13 -50.24 74.81 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.76 -0.654 . . . . 74.21 111.244 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.1 -42.92 95.72 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 123.38 0.672 . . . . 71.22 109.932 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -56.39 -50.23 72.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.592 -0.731 . . . . 74.53 109.772 177.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.24 -37.22 86.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.833 -0.622 . . . . 74.13 112.285 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.3 mmt180 -65.86 -36.21 82.81 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.246 0.546 . . . . 70.14 110.313 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -91.59 -12.81 33.26 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 112.957 0.725 . . . . 74.12 112.957 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.72 24.44 17.92 Favored Glycine 0 C--N 1.307 -1.028 0 C-N-CA 120.825 -0.703 . . . . 64.43 113.205 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 55.5 m-70 -84.56 121.8 28.13 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.106 -1.072 . . . . 64.41 108.106 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -77.65 94.6 4.43 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 108.941 -0.762 . . . . 65.14 108.941 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.27 120.89 61.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 116.164 -0.471 . . . . 65.24 109.767 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.6 t -81.08 122.19 27.03 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 108.231 -1.026 . . . . 74.31 108.231 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.0 p -81.28 -9.02 59.84 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-O 121.921 0.867 . . . . 72.21 110.557 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.0 mtt85 -88.7 72.93 8.6 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.838 -1.074 . . . . 71.24 108.244 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.14 -116.35 0.75 Allowed Glycine 0 N--CA 1.425 -2.05 0 C-N-CA 120.595 -0.812 . . . . 35.14 112.502 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -128.81 157.37 41.69 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 122.649 0.38 . . . . 75.12 110.157 -175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.5 mt -87.06 123.83 69.58 Favored Pre-proline 0 N--CA 1.432 -1.365 0 N-CA-C 107.005 -1.479 . . . . 74.33 107.005 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.46 130.66 36.63 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.492 2.128 . . . . 73.23 112.679 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.55 -29.8 66.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.626 0.771 . . . . 71.24 110.696 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.66 -41.24 97.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.807 -0.633 . . . . 53.43 109.826 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.22 -36.93 44.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 115.65 -0.705 . . . . 54.24 109.121 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.5 -45.46 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.575 . . . . 71.41 109.969 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.63 -42.37 91.58 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.047 -0.524 . . . . 65.24 109.79 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.79 95.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.227 -0.897 . . . . 54.23 110.296 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.439 ' CD2' HG12 ' A' ' 83' ' ' ILE . 85.6 t80 -59.62 -55.77 30.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.847 0.859 . . . . 74.22 109.887 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -69.95 -13.99 62.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.82 0.674 . . . . 71.03 112.82 -178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.41 -32.98 19.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.793 0.33 . . . . 74.53 110.703 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.1 -46.05 13.25 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 112.376 0.509 . . . . 51.14 112.376 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.426 -1.674 0 CA-C-O 118.152 -0.928 . . . . 70.23 111.005 -177.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.647 0.261 . . . . 51.11 110.702 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.2 t -178.77 138.41 0.16 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.763 1.225 . . . . 73.14 107.852 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.44 -6.53 33.94 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 119.975 -1.107 . . . . 73.21 112.946 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -78.82 94.62 5.19 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.437 0.637 . . . . 61.41 109.935 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.76 56.95 0.02 OUTLIER Glycine 0 N--CA 1.429 -1.794 0 N-CA-C 110.948 -0.861 . . . . 75.2 110.948 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -71.85 130.82 41.98 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 108.601 -0.889 . . . . 72.55 108.601 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 149.99 172.79 19.73 Favored Glycine 0 N--CA 1.429 -1.796 0 N-CA-C 110.516 -1.034 . . . . 33.44 110.516 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -85.21 73.33 10.62 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 122.382 1.087 . . . . 72.12 111.022 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.71 -43.29 0.03 OUTLIER Glycine 0 N--CA 1.425 -2.04 0 N-CA-C 107.629 -2.188 . . . . 63.33 107.629 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.56 136.28 47.39 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 107.506 -1.294 . . . . 61.42 107.506 171.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.34 137.6 21.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 N-CA-C 109.411 -0.589 . . . . 72.12 109.411 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.88 -35.88 82.57 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.266 -0.879 . . . . 53.33 111.661 -176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -140.19 -164.67 1.75 Allowed 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.312 -1.366 . . . . 74.44 107.312 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -76.35 144.92 39.83 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.997 -1.853 . . . . 71.15 105.997 170.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 83' ' ' ILE . 19.5 mp0 -50.71 -59.98 3.52 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.49 0.662 . . . . 70.12 110.983 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.3 m -63.21 -34.63 78.08 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.277 -0.874 . . . . 73.42 111.957 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -67.97 -36.64 80.4 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 110.044 -0.354 . . . . 75.13 110.044 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.03 84.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.796 -0.638 . . . . 63.33 110.005 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 79' ' ' GLN . 58.0 mt -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 109.321 -0.622 . . . . 72.42 109.321 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 57.8 mtp180 -61.91 -41.93 98.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.764 -0.653 . . . . 63.4 111.198 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.643 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 38.7 mm-40 -60.06 -49.66 76.79 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 122.667 0.387 . . . . 71.32 110.314 176.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.08 -44.04 91.84 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 123.403 0.681 . . . . 72.22 109.222 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -58.83 -41.85 87.84 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.317 -0.856 . . . . 72.1 110.694 178.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 36.6 mmt180 -65.96 -36.87 84.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.024 -0.534 . . . . 73.43 111.214 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.3 mmt180 -72.0 -40.16 68.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.264 0.554 . . . . 73.42 110.483 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -82.44 -20.35 37.16 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.587 -0.733 . . . . 73.21 112.436 -177.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.88 42.54 3.29 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.192 -1.004 . . . . 73.14 113.353 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.472 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 66.1 m-70 -98.23 150.05 21.92 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.333 -0.617 . . . . 75.52 109.333 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.61 83.7 2.47 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.813 0.816 . . . . 74.21 109.34 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.5 t -89.57 -17.65 8.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 115.172 -0.922 . . . . 71.12 109.876 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 t 71.64 161.94 0.24 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.194 0.998 . . . . 64.41 111.391 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -12.2 60.44 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.534 0.683 . . . . 32.31 109.968 176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -127.47 -176.31 3.71 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.998 -0.742 . . . . 71.14 108.998 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.09 -170.59 52.95 Favored Glycine 0 N--CA 1.435 -1.429 0 O-C-N 123.554 0.533 . . . . 73.11 112.536 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -99.28 173.87 6.57 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.609 -0.885 . . . . 73.31 108.609 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.4 mt -90.02 124.89 62.28 Favored Pre-proline 0 C--N 1.293 -1.87 0 N-CA-C 107.246 -1.39 . . . . 74.43 107.246 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.44 136.64 60.3 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 122.014 1.809 . . . . 65.13 111.721 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -26.8 66.3 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 123.442 0.697 . . . . 74.3 110.359 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.34 -39.52 94.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.994 -0.548 . . . . 75.04 110.405 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.51 -40.77 63.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.433 -0.951 . . . . 73.15 108.433 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.84 -40.67 89.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.425 -0.807 . . . . 52.33 110.188 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.69 -50.23 65.64 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.687 -0.688 . . . . 64.11 109.314 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.79 89.81 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.233 -0.894 . . . . 62.15 110.523 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -55.5 -54.87 38.54 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.883 0.873 . . . . 74.31 109.97 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.54 -14.32 60.4 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.976 0.732 . . . . 64.35 112.976 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.7 -15.75 27.97 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 122.258 -0.276 . . . . 51.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.7 -41.68 6.81 Favored 'General case' 0 CA--C 1.479 -1.781 0 CA-C-O 122.199 0.999 . . . . 63.33 108.633 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.383 -3.81 0 CA-C-N 113.251 -1.795 . . . . 74.31 109.497 -174.326 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 C--O 1.239 0.531 0 CA-C-O 120.828 0.347 . . . . 75.35 110.111 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.6 t -144.29 161.31 39.25 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.996 -1.483 . . . . 74.14 106.996 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.49 65.74 0.01 OUTLIER Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 120.383 -0.913 . . . . 74.35 111.179 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -75.63 141.21 42.86 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 120.712 0.291 . . . . 70.32 110.637 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.09 -177.03 14.67 Favored Glycine 0 N--CA 1.435 -1.429 0 C-N-CA 120.133 -1.032 . . . . 63.0 112.512 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? 63.51 84.57 0.15 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 125.032 1.333 . . . . 63.55 110.747 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.28 -119.19 5.98 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.907 -1.277 . . . . 55.53 109.907 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 63.1 25.29 14.86 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.125 0.97 . . . . 62.22 111.217 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.49 -26.89 41.17 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.139 -1.184 . . . . 74.43 110.139 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.0 165.06 13.39 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 114.581 -0.81 . . . . 53.15 109.174 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.6 mt -85.52 113.23 23.48 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 N-CA-C 108.137 -1.06 . . . . 73.4 108.137 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -72.58 -40.73 66.38 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 115.198 -0.91 . . . . 54.42 111.873 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -113.68 -167.08 1.15 Allowed 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.587 -0.733 . . . . 64.34 109.839 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.4 149.28 38.86 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.286 -1.005 . . . . 74.34 108.286 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.588 ' O ' HG13 ' A' ' 83' ' ' ILE . 52.9 mt-30 -56.18 -49.43 74.05 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.504 -0.924 . . . . 72.55 108.504 175.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -55.84 -48.72 74.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.006 -0.997 . . . . 55.31 111.007 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.47 97.86 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.007 -0.542 . . . . 74.0 110.619 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.37 85.6 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.795 -0.639 . . . . 60.23 111.148 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 79' ' ' GLN . 73.6 mt -64.79 -44.75 96.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.507 -0.553 . . . . 51.13 109.507 176.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -60.86 -41.69 96.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.943 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.52 -42.28 87.5 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 73.15 111.583 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -64.64 -43.11 94.71 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.07 -0.715 . . . . 75.44 109.07 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.53 69.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.375 -0.83 . . . . 75.02 110.047 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -61.66 -40.51 95.2 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.839 -0.618 . . . . 74.02 112.459 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -71.04 -28.54 64.45 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.368 0.507 . . . . 70.02 112.368 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -94.3 -11.2 30.58 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.704 0.631 . . . . 73.43 112.704 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.68 24.44 20.76 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.671 -0.776 . . . . 70.11 113.496 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -83.99 144.31 29.22 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.292 -0.633 . . . . 72.32 109.292 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -81.54 82.0 7.46 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.0 0.905 . . . . 51.25 111.961 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.3 t -130.51 109.11 16.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.138 -1.801 . . . . 75.42 106.138 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -92.29 -174.09 3.62 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 115.991 -0.55 . . . . 25.42 110.167 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.2 p -90.32 20.08 4.7 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 113.336 0.865 . . . . 64.45 113.336 -173.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -71.89 -46.39 57.95 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.997 -0.681 . . . . 74.53 110.923 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.58 -42.04 0.86 Allowed Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 119.393 -1.384 . . . . 62.42 113.419 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.1 mtt-85 -83.95 121.35 27.25 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 119.689 -0.804 . . . . 74.25 112.705 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.8 mt -92.73 130.58 36.31 Favored Pre-proline 0 C--N 1.295 -1.798 0 CA-C-N 114.475 -1.239 . . . . 73.52 108.753 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.4 131.36 24.59 Favored 'Trans proline' 0 C--O 1.251 1.173 0 C-N-CA 121.702 1.601 . . . . 72.23 110.393 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.74 -22.57 65.5 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 122.921 0.488 . . . . 73.13 111.549 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.99 -39.5 94.26 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.716 -0.846 . . . . 75.02 108.716 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.44 -37.68 30.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-N 115.413 -0.812 . . . . 51.25 108.823 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.08 -46.24 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.905 -0.588 . . . . 73.11 110.06 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.33 -44.27 75.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.051 -0.522 . . . . 60.33 110.207 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.09 84.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.847 -0.615 . . . . 63.04 110.072 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.99 -56.85 15.74 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.079 0.952 . . . . 60.2 110.782 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -67.44 -23.73 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.606 0.595 . . . . 72.13 112.606 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.3 -20.24 28.68 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.099 0.476 . . . . 75.2 111.057 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.46 -49.34 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.348 0.869 . . . . 45.24 113.348 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.251 1.174 0 C-N-CA 120.373 -0.531 . . . . 65.22 110.758 -173.806 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 CA--C 1.495 -1.165 0 CA-C-O 120.874 0.369 . . . . 63.2 110.653 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -147.91 144.0 27.76 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 108.235 -1.024 . . . . 73.01 108.235 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.51 -60.2 0.2 Allowed Glycine 0 N--CA 1.435 -1.368 0 N-CA-C 111.296 -0.721 . . . . 63.44 111.296 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 m -122.02 122.73 39.98 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.189 0.519 . . . . 75.2 110.063 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.54 68.23 0.22 Allowed Glycine 0 CA--C 1.479 -2.173 0 N-CA-C 107.457 -2.257 . . . . 60.1 107.457 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 72.88 -172.41 0.14 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.803 0.841 . . . . 75.45 108.765 -172.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.87 30.29 52.34 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 109.36 -1.496 . . . . 74.04 109.36 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -127.69 17.09 6.92 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.085 -1.057 . . . . 74.24 108.985 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.01 26.62 3.47 Favored Glycine 0 C--N 1.308 -0.994 0 N-CA-C 109.767 -1.333 . . . . 75.42 109.767 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.76 123.41 4.6 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 107.565 -1.272 . . . . 51.15 107.565 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 77' ' ' ARG . 44.5 mt -93.95 94.92 4.83 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.559 0 CA-C-O 122.86 1.315 . . . . 70.44 112.66 -168.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -124.03 0.42 8.5 Favored 'General case' 0 C--N 1.267 -2.979 0 CA-C-N 112.562 -2.108 . . . . 74.4 105.849 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 75' ' ' ILE . 35.9 mtp85 -139.58 148.07 42.02 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 103.001 -2.963 . . . . 73.04 103.001 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.84 144.02 55.51 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 112.934 0.716 . . . . 75.44 112.934 -172.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.549 ' O ' HG13 ' A' ' 83' ' ' ILE . 77.3 mt-30 -52.51 -49.45 64.77 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.01 0.924 . . . . 73.54 110.873 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t -55.6 -49.14 73.58 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.784 0.434 . . . . 73.11 110.522 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.22 89.66 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.399 -0.364 . . . . 74.11 110.609 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.19 93.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 61.21 111.173 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.2 mt -66.31 -43.49 91.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.287 -0.634 . . . . 75.21 109.287 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -59.57 -44.57 93.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.683 -0.69 . . . . 73.32 111.234 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -68.28 -37.75 81.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.614 -0.721 . . . . 72.43 111.317 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -63.35 -41.26 98.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.272 -1.01 . . . . 64.44 108.272 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -59.01 -46.86 87.12 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.1 -0.954 . . . . 44.11 110.583 177.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.463 HH21 HG23 ' A' ' 96' ' ' THR . 62.0 mtt-85 -64.1 -43.08 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.941 -0.304 . . . . 74.23 111.125 178.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -60.26 -37.33 80.08 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.162 0.585 . . . . 74.24 111.226 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -89.16 -21.92 23.08 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.032 0.753 . . . . 71.1 113.032 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.58 35.09 4.48 Favored Glycine 0 C--N 1.315 -0.598 0 C-N-CA 120.794 -0.717 . . . . 44.44 113.204 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.428 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 75.2 m-70 -95.5 164.39 12.82 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 122.511 -0.405 . . . . 74.55 109.986 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -98.35 100.38 11.65 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.622 -0.881 . . . . 54.24 108.622 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.0 t -141.69 -51.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 109.052 -0.722 . . . . 54.41 109.052 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t 63.41 -162.27 0.28 Allowed 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 114.982 -1.008 . . . . 64.43 109.492 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 HH21 ' A' ' 88' ' ' ARG . 4.6 p -109.08 17.94 21.13 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 121.376 0.608 . . . . 53.34 110.605 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 97' ' ' ARG . 53.8 mtp180 -125.93 113.64 17.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.78 -0.645 . . . . 73.03 109.904 -176.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.31 -175.05 18.02 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.831 -0.699 . . . . 50.32 111.486 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -99.5 145.91 26.95 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.402 -0.962 . . . . 65.45 108.402 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 mt -70.02 130.22 90.06 Favored Pre-proline 0 C--N 1.302 -1.493 0 C-N-CA 122.787 0.435 . . . . 62.43 111.251 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.11 133.79 42.75 Favored 'Trans proline' 0 C--O 1.257 1.43 0 C-N-CA 122.357 2.038 . . . . 51.44 110.804 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.21 63.1 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.443 0.697 . . . . 74.33 112.283 -177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -64.12 -42.66 96.76 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.158 -0.682 . . . . 74.01 109.158 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.2 t -72.54 -39.5 61.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.282 -0.872 . . . . 74.12 108.724 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 68.5 mt -59.57 -45.54 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.604 . . . . 73.52 110.941 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.79 -43.51 83.74 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 120.764 -0.374 . . . . 63.14 110.01 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.66 86.38 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.882 -0.599 . . . . 61.3 110.617 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.451 ' CD2' HG12 ' A' ' 83' ' ' ILE . 74.1 t80 -59.19 -58.49 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.01 0.924 . . . . 75.01 110.606 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -66.18 -18.57 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.08 0.4 . . . . 61.21 112.08 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.74 26.22 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 73.44 110.677 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.74 -33.99 21.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.01 0.744 . . . . 75.05 113.01 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.43 -1.455 0 C-N-CA 120.215 -0.594 . . . . 74.23 110.537 -178.591 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 CA--C 1.512 -0.506 0 N-CA-C 107.756 -1.201 . . . . 65.34 107.756 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.6 m 70.82 89.44 0.1 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.017 0.913 . . . . 55.33 111.048 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.68 64.31 4.31 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 114.647 -1.161 . . . . 73.31 112.708 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.2 m -66.32 123.78 20.89 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 108.945 -0.761 . . . . 73.54 108.945 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.41 -86.56 1.78 Allowed Glycine 0 N--CA 1.427 -1.933 0 N-CA-C 110.31 -1.116 . . . . 63.12 110.31 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 54.37 82.1 0.09 Allowed 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.402 1.081 . . . . 75.24 113.237 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.09 -157.6 8.22 Favored Glycine 0 N--CA 1.422 -2.282 0 N-CA-C 110.265 -1.134 . . . . 74.01 110.265 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -88.77 115.38 26.27 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 120.741 0.305 . . . . 65.11 110.547 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.29 60.94 4.77 Favored Glycine 0 C--N 1.312 -0.798 0 N-CA-C 109.476 -1.45 . . . . 51.31 109.476 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.81 -172.11 3.92 Favored 'General case' 0 N--CA 1.426 -1.647 0 C-N-CA 124.186 0.994 . . . . 45.34 108.323 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.0 mt -101.36 151.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.956 -1.127 . . . . 70.32 107.956 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.41 161.6 7.19 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 123.368 0.417 . . . . 75.24 110.623 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -58.65 -36.26 73.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.265 0.555 . . . . 73.43 109.995 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -91.3 80.44 5.55 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-O 121.833 0.825 . . . . 75.12 109.146 171.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 83' ' ' ILE . 53.9 mt-30 -57.45 -46.25 83.82 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.269 -1.332 . . . . 64.42 111.801 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.0 m -60.34 -40.35 90.38 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.902 -0.59 . . . . 64.04 109.86 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.7 -40.26 88.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.734 -0.666 . . . . 73.54 110.637 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.42 99.39 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.897 0.748 . . . . 65.14 110.721 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.4 mt -64.87 -45.22 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.048 178.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -58.66 -43.7 89.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.317 0.58 . . . . 71.15 110.443 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -63.41 -41.12 98.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.732 -0.667 . . . . 64.35 112.314 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -66.49 -41.31 89.14 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.162 -0.681 . . . . 65.34 109.162 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.094 -0.957 . . . . 73.14 110.52 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -69.9 -35.1 74.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.285 -0.416 . . . . 74.53 111.266 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -62.82 -38.05 89.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 121.338 0.589 . . . . 64.4 112.007 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -89.4 -30.12 18.58 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.601 -0.727 . . . . 75.55 112.671 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 45.03 1.52 Allowed Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.315 -0.945 . . . . 63.04 112.367 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -99.88 148.89 23.97 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.771 -0.826 . . . . 71.55 108.771 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -83.07 70.31 10.02 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 122.221 1.01 . . . . 71.15 111.771 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.0 t -112.41 117.07 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.004 0 CA-C-N 114.456 -1.247 . . . . 61.52 107.67 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.1 t -93.11 144.46 25.25 Favored 'General case' 0 N--CA 1.415 -2.221 0 N-CA-C 107.748 -1.205 . . . . 71.14 107.748 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -71.56 -13.07 61.67 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 116.269 -0.423 . . . . 65.02 111.131 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.15 20.19 13.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.72 -0.673 . . . . 73.13 110.234 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.71 -177.1 22.65 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 110.713 -0.955 . . . . 74.34 110.713 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -88.04 163.37 16.31 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 117.238 0.519 . . . . 72.35 111.071 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.9 mt -87.24 127.71 58.06 Favored Pre-proline 0 C--N 1.305 -1.36 0 N-CA-C 109.37 -0.604 . . . . 43.22 109.37 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.96 136.07 34.09 Favored 'Trans proline' 0 C--O 1.254 1.308 0 C-N-CA 122.11 1.874 . . . . 73.12 111.353 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.12 67.37 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 116.102 -0.499 . . . . 73.3 111.054 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.27 -42.16 85.89 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.063 -0.517 . . . . 75.01 110.479 174.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.03 -37.6 47.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.287 -0.635 . . . . 60.1 109.287 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.01 -43.88 99.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.864 -0.607 . . . . 72.41 110.303 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.54 -43.59 89.44 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 108.985 -0.746 . . . . 75.51 108.985 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.54 99.48 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.938 -1.028 . . . . 62.24 110.467 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.97 -53.69 49.36 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 123.58 0.752 . . . . 74.13 109.289 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -71.89 -18.45 62.04 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.951 0.723 . . . . 53.1 112.951 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.86 -25.05 30.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.624 -0.262 . . . . 54.44 111.341 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.47 -41.28 7.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 122.335 1.064 . . . . 73.33 109.836 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.381 -3.891 0 CA-C-N 113.479 -1.692 . . . . 73.11 109.782 -173.681 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 50.8 ttm . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 109.508 -0.553 . . . . 74.45 109.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.3 m -141.64 107.63 5.18 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 110.236 -0.283 . . . . 73.2 110.236 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -105.84 72.02 0.22 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.192 -1.563 . . . . 53.23 109.192 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m -67.1 103.4 1.18 Allowed 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 123.738 0.815 . . . . 50.22 111.214 -175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.433 ' H ' ' HD2' ' A' ' 70' ' ' ARG . . . 168.73 79.42 0.04 OUTLIER Glycine 0 N--CA 1.433 -1.51 0 CA-C-N 115.312 -0.858 . . . . 61.51 111.193 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HD2' ' H ' ' A' ' 69' ' ' GLY . 3.5 mpt_? -123.09 104.15 9.02 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.374 -0.531 . . . . 71.24 112.204 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.6 -111.45 3.71 Favored Glycine 0 C--N 1.308 -0.989 0 N-CA-C 115.007 0.763 . . . . 54.4 115.007 172.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.46 162.65 28.33 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.11 0.481 . . . . 64.22 111.699 -176.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.09 -169.35 29.34 Favored Glycine 0 N--CA 1.424 -2.146 0 N-CA-C 110.687 -0.965 . . . . 44.43 110.687 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.48 174.53 6.62 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.227 -1.397 . . . . 74.32 107.227 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.6 mt -101.84 122.93 54.66 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 108.632 -0.877 . . . . 74.14 108.632 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.06 -39.9 93.94 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.863 -1.062 . . . . 74.13 110.846 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -90.23 171.5 9.45 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.969 -1.123 . . . . 74.11 107.969 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 156.92 36.41 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.893 -0.78 . . . . 72.21 108.893 170.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.561 ' O ' HG13 ' A' ' 83' ' ' ILE . 51.2 mt-30 -63.07 -41.95 99.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.345 -0.613 . . . . 73.31 109.345 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -60.17 -41.69 93.38 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 115.407 -0.815 . . . . 70.34 109.087 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -69.86 -34.8 74.07 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 116.126 -0.488 . . . . 35.0 110.741 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.85 90.18 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.939 0.4 . . . . 75.15 110.374 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.0 mt -63.01 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 N-CA-C 108.6 -0.889 . . . . 53.54 108.6 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.12 -38.39 85.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 75.34 112.042 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 74.2 mm-40 -56.82 -48.34 78.21 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.994 -0.743 . . . . 72.43 108.994 174.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -65.22 -43.32 91.85 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.166 -0.924 . . . . 72.31 109.869 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.38 -45.37 84.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 71.53 110.087 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -64.39 -40.18 95.3 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.077 -0.51 . . . . 74.34 112.06 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -60.77 -38.23 84.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.476 0.655 . . . . 74.34 110.689 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -90.56 -11.98 38.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.587 0.958 . . . . 72.21 113.587 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.69 36.89 7.13 Favored Glycine 0 C--N 1.308 -0.997 0 C-N-CA 120.277 -0.963 . . . . 54.53 112.938 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.492 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 49.9 m-70 -95.45 134.9 37.76 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.855 -0.794 . . . . 72.43 108.855 176.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -91.29 90.51 7.77 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.669 -0.863 . . . . 75.33 108.669 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.7 t -95.89 119.63 44.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-N 115.424 -0.807 . . . . 55.13 109.168 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.8 t -65.4 127.47 31.92 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 115.389 -0.823 . . . . 63.42 109.868 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 36.3 p -70.92 -29.67 65.78 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 121.759 0.79 . . . . 70.41 109.448 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -92.86 103.35 15.7 Favored 'General case' 0 N--CA 1.425 -1.679 0 N-CA-C 107.673 -1.232 . . . . 71.53 107.673 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.61 -168.44 21.73 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.935 -0.866 . . . . 65.51 110.935 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -108.94 145.81 34.82 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.293 -1.003 . . . . 72.14 108.293 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.22 127.48 88.14 Favored Pre-proline 0 C--N 1.321 -0.659 0 O-C-N 123.355 0.409 . . . . 72.45 110.107 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.33 137.39 80.23 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 122.513 2.142 . . . . 70.23 111.89 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.23 -27.06 63.59 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.151 -0.931 . . . . 75.14 110.77 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.58 -43.93 93.49 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 116.248 -0.433 . . . . 72.13 110.558 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.28 -41.06 57.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.92 -0.77 . . . . 71.54 108.92 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.0 -39.2 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.366 0.603 . . . . 75.2 110.526 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.8 -47.23 72.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.558 -0.746 . . . . 74.42 109.699 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.33 94.2 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.242 -0.89 . . . . 64.15 109.976 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -55.96 -55.56 31.22 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.289 1.036 . . . . 73.04 111.021 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -71.1 -25.76 62.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.659 -0.417 . . . . 71.11 112.038 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.54 71.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.067 0.461 . . . . 33.41 110.344 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.28 -48.1 8.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.707 -0.678 . . . . 64.31 112.558 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.262 1.755 0 CA-C-O 118.562 -0.732 . . . . 64.43 110.952 -177.25 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 50.6 tpp . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 107.953 -1.128 . . . . 73.23 107.953 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -151.75 84.39 1.29 Allowed 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 106.642 -1.614 . . . . 65.21 106.642 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.03 82.99 1.64 Allowed Glycine 0 N--CA 1.435 -1.405 0 CA-C-N 115.215 -0.902 . . . . 61.25 113.642 -174.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 p -126.99 -71.74 0.67 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 110.055 -0.35 . . . . 72.25 110.055 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.05 -159.81 46.31 Favored Glycine 0 N--CA 1.437 -1.252 0 N-CA-C 111.979 -0.448 . . . . 22.3 111.979 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 7.5 mpt_? -113.67 98.8 7.27 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.225 -0.657 . . . . 73.24 109.225 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.77 164.8 27.98 Favored Glycine 0 N--CA 1.421 -2.338 0 N-CA-C 109.84 -1.304 . . . . 34.41 109.84 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -69.89 -51.2 35.14 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.403 -0.962 . . . . 72.32 108.403 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.67 27.83 1.47 Allowed Glycine 0 N--CA 1.438 -1.223 0 N-CA-C 109.263 -1.535 . . . . 71.31 109.263 176.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.63 155.22 36.53 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 114.067 -1.067 . . . . 64.42 111.658 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.8 mt -94.78 104.98 16.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 CA-C-N 114.64 -1.163 . . . . 72.11 108.845 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.528 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 30.6 t70 -108.09 72.72 0.86 Allowed 'General case' 0 C--N 1.273 -2.733 0 CA-C-N 114.418 -1.265 . . . . 74.24 108.081 177.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -170.72 167.56 7.69 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 127.87 2.468 . . . . 72.3 105.3 -177.671 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.29 121.5 19.54 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 106.999 -1.482 . . . . 70.34 106.999 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.453 ' O ' HG13 ' A' ' 83' ' ' ILE . 47.4 mt-30 -55.81 -40.83 73.28 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.057 0.392 . . . . 64.15 112.057 -178.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 p -60.53 -45.89 92.17 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.495 0.664 . . . . 52.43 110.852 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.84 79.97 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 115.269 -0.878 . . . . 71.42 110.838 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.81 86.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 116.137 -0.483 . . . . 54.4 110.633 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 79' ' ' GLN . 71.1 mt -62.31 -40.95 89.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 109.183 -0.673 . . . . 71.32 109.183 176.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -61.26 -43.57 98.67 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.86 -0.609 . . . . 71.41 111.439 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 35.9 mm-40 -58.11 -46.56 85.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 122.643 0.377 . . . . 71.1 110.7 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -64.78 -42.82 94.79 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.952 -0.758 . . . . 72.32 108.952 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.27 85.84 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.224 -0.898 . . . . 61.03 110.242 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.7 OUTLIER -62.6 -39.51 93.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 73.24 110.441 179.554 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.5 mmt180 -62.06 -44.8 95.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.372 0.606 . . . . 62.14 110.467 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.84 -28.42 44.33 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.187 -0.915 . . . . 75.04 112.331 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.59 22.2 8.26 Favored Glycine 0 C--N 1.307 -1.039 0 C-N-CA 120.317 -0.944 . . . . 74.0 112.058 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -80.96 129.4 34.52 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.94 -0.763 . . . . 71.12 108.94 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -83.02 90.31 7.01 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.528 0.68 . . . . 73.24 111.776 -177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.1 t -99.39 114.58 37.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-N 114.971 -1.013 . . . . 71.32 108.615 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 t -84.38 161.22 20.44 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.354 -0.839 . . . . 73.52 109.82 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 p -84.19 -16.34 43.74 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-O 121.603 0.716 . . . . 73.42 109.611 175.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -99.65 85.09 3.05 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.674 -0.693 . . . . 65.1 110.811 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.88 -145.21 14.35 Favored Glycine 0 N--CA 1.418 -2.509 0 CA-C-N 115.214 -0.903 . . . . 74.03 111.174 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -125.29 169.83 11.9 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 109.072 -0.714 . . . . 60.41 109.072 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.93 122.19 84.29 Favored Pre-proline 0 C--N 1.299 -1.589 0 N-CA-C 107.263 -1.384 . . . . 72.43 107.263 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.81 133.97 51.0 Favored 'Trans proline' 0 C--O 1.251 1.155 0 C-N-CA 122.399 2.066 . . . . 61.5 111.629 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.46 -25.51 66.06 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-N 115.639 -0.709 . . . . 71.05 110.558 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.38 -40.67 91.67 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.255 0.622 . . . . 61.33 110.054 174.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.2 t -76.04 -38.29 34.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 N-CA-C 108.904 -0.776 . . . . 50.53 108.904 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.22 -42.1 94.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 115.97 -0.559 . . . . 61.41 110.477 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.04 -47.01 72.67 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.983 -0.553 . . . . 74.34 109.612 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.88 90.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 74.24 110.55 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.7 -56.24 21.32 Favored 'General case' 0 C--O 1.194 -1.829 0 C-N-CA 123.595 0.758 . . . . 73.01 109.619 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -72.38 -12.18 61.01 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.342 0.867 . . . . 63.14 113.342 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.64 -30.33 24.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.433 -0.349 . . . . 73.24 110.63 175.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.18 -36.57 10.41 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 122.429 1.109 . . . . 72.12 109.442 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m . . . . . 1 N--CA 1.377 -4.091 0 CA-C-N 113.119 -1.855 . . . . 70.21 108.978 -173.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.7 tpp . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 120.722 0.296 . . . . 74.15 110.286 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.2 m -86.69 82.43 7.87 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 107.971 -1.122 . . . . 54.3 107.971 176.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.23 38.34 1.85 Allowed Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 120.166 -1.016 . . . . 72.23 113.066 -175.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 m -75.26 -30.26 60.43 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.681 -1.229 . . . . 74.24 107.681 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.86 82.99 0.29 Allowed Glycine 0 N--CA 1.42 -2.407 0 N-CA-C 108.889 -1.684 . . . . 73.32 108.889 174.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -76.55 149.77 36.62 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 121.03 -0.268 . . . . 75.33 110.435 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.43 151.29 46.44 Favored Glycine 0 N--CA 1.429 -1.807 0 C-N-CA 120.659 -0.781 . . . . 43.01 111.873 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -75.3 -7.03 52.84 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.547 0.689 . . . . 74.21 110.667 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.09 -0.02 87.31 Favored Glycine 0 N--CA 1.431 -1.683 0 CA-C-N 115.069 -0.968 . . . . 65.25 111.785 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 147.86 51.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.413 -0.588 . . . . 73.42 109.413 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.9 mt -100.81 133.11 45.08 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.218 0 CA-C-N 116.119 -0.491 . . . . 71.04 109.688 -172.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -77.34 -54.15 6.81 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.24 -0.891 . . . . 61.33 110.059 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -83.87 148.72 26.81 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.088 -1.079 . . . . 74.25 108.088 176.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.91 130.59 38.74 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 108.362 -0.977 . . . . 73.02 108.362 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.449 ' O ' HG13 ' A' ' 83' ' ' ILE . 11.2 mm100 -64.0 -35.2 79.94 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.52 -0.548 . . . . 75.14 109.52 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.435 ' O ' HD11 ' A' ' 100' ' ' ILE . 4.3 m -59.2 -45.46 91.03 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.556 -0.747 . . . . 75.13 109.715 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . -66.93 -43.06 84.21 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.721 -0.474 . . . . 75.23 109.721 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.66 92.86 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.726 -0.67 . . . . 62.22 111.535 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.492 ' HB ' HD13 ' A' ' 100' ' ' ILE . 77.5 mt -67.92 -36.53 75.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.944 -0.391 . . . . 55.43 109.944 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HG3' HD11 ' A' ' 100' ' ' ILE . 59.8 mtp180 -67.47 -37.67 83.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.87 0.322 . . . . 72.15 111.87 177.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.9 mt-10 -63.1 -44.22 96.31 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.664 -0.495 . . . . 72.04 109.664 174.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -62.83 -43.72 98.05 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 115.639 -0.71 . . . . 74.43 109.215 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.84 0.856 . . . . 70.34 110.734 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -69.19 -33.96 74.17 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.558 -0.292 . . . . 71.41 111.559 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 10.4 mmm180 -62.95 -39.93 96.14 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.56 0.695 . . . . 64.2 111.002 176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.3 -26.86 22.06 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.205 -0.907 . . . . 74.54 112.893 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.23 28.83 3.94 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.401 -0.905 . . . . 61.15 113.539 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -97.31 141.47 30.36 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.636 -0.505 . . . . 73.21 109.636 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -96.76 100.55 12.09 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.342 0.591 . . . . 71.53 110.813 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -99.14 -17.11 6.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 CA-C-N 115.492 -0.777 . . . . 71.12 109.481 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.4 t 65.94 -179.44 0.2 Allowed 'General case' 0 C--O 1.247 0.924 0 CA-C-N 114.923 -1.035 . . . . 72.24 110.899 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 p -107.45 -20.68 13.18 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.555 -0.748 . . . . 72.45 109.849 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -74.81 -51.95 12.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.637 0.732 . . . . 74.44 109.158 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.03 -159.51 32.51 Favored Glycine 0 N--CA 1.426 -1.981 0 CA-C-N 114.747 -1.115 . . . . 74.5 113.177 -175.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -132.92 177.72 7.43 Favored 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 107.128 -1.434 . . . . 72.31 107.128 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.492 HD13 ' HB ' ' A' ' 83' ' ' ILE . 14.7 mt -75.41 125.41 88.84 Favored Pre-proline 0 C--N 1.295 -1.792 0 N-CA-C 112.907 0.706 . . . . 64.23 112.907 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.54 145.82 48.12 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 122.393 2.062 . . . . 65.35 110.56 173.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.69 58.67 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 123.865 0.866 . . . . 73.21 110.807 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.39 -41.72 94.42 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.557 0.694 . . . . 64.43 110.679 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.87 -37.16 27.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.14 -0.689 . . . . 74.14 109.14 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.97 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 CA-C-N 115.964 -0.562 . . . . 72.21 110.155 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.2 -51.83 53.89 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.604 -0.726 . . . . 75.52 109.317 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.23 87.41 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.256 -0.884 . . . . 44.04 110.826 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -56.25 -56.96 14.59 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 115.927 -0.579 . . . . 74.31 110.19 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -70.61 -15.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.699 0.629 . . . . 62.32 112.699 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.84 -28.22 33.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.489 -0.323 . . . . 72.21 110.725 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.93 -27.38 13.62 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 122.148 0.975 . . . . 62.23 110.057 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.2 m . . . . . 1 N--CA 1.375 -4.184 0 CA-C-N 113.926 -1.488 . . . . 74.24 109.691 -172.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.344 0.592 . . . . 73.33 110.031 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 m -147.1 -62.25 0.29 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.543 -1.28 . . . . 75.03 107.543 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.16 -117.47 2.05 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 110.739 -0.944 . . . . 63.31 110.739 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.7 p -88.71 -14.09 38.09 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 121.087 0.47 . . . . 74.43 110.519 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.97 -159.24 14.07 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.985 -0.846 . . . . 72.34 110.985 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 75.55 105.86 0.07 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 124.538 1.135 . . . . 65.02 113.765 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.07 23.56 2.58 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.14 -0.936 . . . . 71.42 112.753 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -100.96 136.38 40.91 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.016 -0.735 . . . . 62.21 109.016 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.54 -79.76 0.73 Allowed Glycine 0 CA--C 1.485 -1.813 0 N-CA-C 107.58 -2.208 . . . . 74.44 107.58 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.54 126.12 50.5 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 106.63 -1.618 . . . . 72.31 106.63 170.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.9 mt -79.25 128.49 38.5 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.357 0 CA-C-N 115.244 -0.889 . . . . 72.34 109.453 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -76.68 -44.78 32.27 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.8 0.81 . . . . 51.32 110.082 -176.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -93.16 172.26 8.41 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.899 -1.046 . . . . 54.2 109.912 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.41 134.51 45.44 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 112.352 0.501 . . . . 75.1 112.352 -174.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 83' ' ' ILE . 71.0 mt-30 -62.17 -35.39 78.66 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.414 -0.958 . . . . 74.34 108.414 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 29.6 m -57.43 -42.49 82.47 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.248 -0.887 . . . . 65.21 110.91 176.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.32 -45.89 78.74 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.385 -0.598 . . . . 64.03 109.385 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.54 83.2 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 116.009 -0.541 . . . . 63.14 111.325 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.5 mt -66.11 -39.65 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.431 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 80' ' ' SER . 42.0 mtm105 -68.32 -42.18 79.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.633 0.234 . . . . 74.24 111.633 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.49 -41.34 97.13 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 111.554 0.205 . . . . 71.12 111.554 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' ARG . 66.4 t90 -64.67 -41.45 96.07 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 109.167 -0.679 . . . . 75.13 109.167 177.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -56.59 -51.41 68.75 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.078 -0.964 . . . . 51.51 109.919 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -65.85 -30.75 71.41 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.751 -0.659 . . . . 74.04 112.443 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 86' ' ' TRP . 16.9 mmt85 -61.54 -44.7 96.58 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.557 0.694 . . . . 52.3 109.168 172.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -90.08 -7.87 52.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 114.269 1.211 . . . . 64.13 114.269 -174.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.3 4.34 50.29 Favored Glycine 0 C--N 1.306 -1.096 0 C-N-CA 120.589 -0.815 . . . . 73.31 113.673 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.521 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 72.8 m-70 -81.75 118.42 22.85 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.578 -1.268 . . . . 63.51 107.578 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -82.27 99.81 9.54 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 120.996 0.427 . . . . 75.25 110.352 -177.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 51.8 t -124.28 123.99 67.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 N-CA-C 108.097 -1.075 . . . . 71.01 108.097 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.9 t -100.59 179.5 4.41 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.231 0.539 . . . . 73.41 109.982 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.5 p -84.94 -15.55 44.02 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 108.536 -0.913 . . . . 70.12 108.536 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -90.69 97.77 11.38 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 114.766 -1.106 . . . . 64.52 108.381 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.08 168.93 20.62 Favored Glycine 0 N--CA 1.434 -1.461 0 N-CA-C 109.789 -1.324 . . . . 72.01 109.789 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -80.35 178.73 8.1 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 117.349 0.574 . . . . 74.01 111.524 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -90.61 131.56 37.59 Favored Pre-proline 0 C--N 1.307 -1.272 0 N-CA-C 109.547 -0.538 . . . . 71.04 109.547 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.71 131.84 48.07 Favored 'Trans proline' 0 C--O 1.247 0.97 0 C-N-CA 122.492 2.128 . . . . 74.02 111.439 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.58 67.54 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.22 0.608 . . . . 71.13 110.488 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.91 -41.65 92.16 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.646 -0.501 . . . . 64.44 109.646 175.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.86 -41.17 61.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.418 -0.586 . . . . 71.13 109.418 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.63 -45.31 98.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.708 -0.678 . . . . 74.23 110.482 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.7 -44.57 77.39 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.791 -0.641 . . . . 73.22 109.797 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.87 93.74 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.299 -0.864 . . . . 62.23 110.588 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -57.33 -56.55 20.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 123.532 0.733 . . . . 74.31 110.323 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -68.67 -17.36 64.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.333 0.864 . . . . 72.34 113.333 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.18 -35.6 16.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.832 0.348 . . . . 62.23 111.601 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.31 9.02 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 112.886 0.699 . . . . 60.34 112.886 -174.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.421 -1.889 0 N-CA-C 109.325 -0.62 . . . . 70.44 109.325 -174.926 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 120.822 0.344 . . . . 73.35 110.158 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 p -107.56 -60.25 1.72 Allowed 'General case' 0 N--CA 1.423 -1.814 0 CA-C-O 121.559 0.695 . . . . 61.52 109.748 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.66 -111.66 1.15 Allowed Glycine 0 N--CA 1.421 -2.316 0 CA-C-N 115.84 -0.618 . . . . 63.32 112.321 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.3 m -143.04 102.67 4.04 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 120.974 0.416 . . . . 70.22 111.06 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.46 -106.04 3.34 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.744 -0.741 . . . . 24.14 114.306 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 72.13 123.72 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.977 1.311 . . . . 71.13 110.807 -173.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.06 -74.17 2.35 Favored Glycine 0 C--O 1.249 1.041 0 N-CA-C 110.046 -1.222 . . . . 72.52 110.046 -177.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 70.93 -65.8 0.32 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.799 1.64 . . . . 74.53 111.908 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 169.67 64.92 0.04 OUTLIER Glycine 0 N--CA 1.433 -1.545 0 N-CA-C 109.939 -1.265 . . . . 74.43 109.939 -176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.34 174.8 6.11 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.305 -0.628 . . . . 60.32 109.305 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.2 mt -89.96 118.99 36.33 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.143 0 N-CA-C 108.913 -0.773 . . . . 74.54 108.913 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -95.65 -28.73 14.67 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 115.094 -0.957 . . . . 64.51 109.981 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -85.62 172.45 10.9 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.165 -0.925 . . . . 74.33 109.858 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.13 111.08 2.4 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 123.115 0.259 . . . . 62.31 111.241 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' O ' HG13 ' A' ' 83' ' ' ILE . 44.4 mt-30 -59.03 -52.29 66.38 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.197 0.814 . . . . 74.5 113.197 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.0 m -62.49 -45.35 93.41 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-O 121.134 0.492 . . . . 63.1 111.012 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . -61.08 -41.41 96.59 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.613 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.48 99.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 O-C-N 123.244 0.34 . . . . 63.32 111.176 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.8 mt -61.07 -43.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 109.345 -0.613 . . . . 74.23 109.345 177.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 54.8 mtp180 -63.82 -43.12 97.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 75.32 111.814 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 48.2 mt-10 -66.04 -39.76 90.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.667 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -63.15 -43.33 98.64 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.594 -0.891 . . . . 75.02 108.594 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.2 83.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.185 -0.916 . . . . 42.13 110.373 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 39.2 mmt180 -59.86 -44.33 94.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 71.43 110.616 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 99.5 mtt180 -63.47 -38.32 90.67 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.629 0.728 . . . . 74.13 112.025 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -90.08 -10.7 43.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.152 -0.931 . . . . 73.14 112.804 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.04 34.65 9.62 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.283 -0.96 . . . . 61.52 112.45 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -95.9 141.06 29.79 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.598 -0.519 . . . . 60.34 109.598 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -84.85 99.44 10.92 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.368 0.604 . . . . 71.04 112.459 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 65.0 t -118.84 114.23 44.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 106.395 -1.706 . . . . 60.44 106.395 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.445 ' OG ' ' HG2' ' A' ' 97' ' ' ARG . 27.1 t -82.47 153.6 25.54 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 120.947 0.403 . . . . 54.11 110.124 -177.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 p -81.71 4.81 20.47 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 123.678 0.791 . . . . 71.43 110.861 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' HG2' ' OG ' ' A' ' 95' ' ' SER . 22.6 mmm180 -65.54 -42.47 91.92 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.674 -0.694 . . . . 72.45 109.321 176.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 142.26 146.15 4.6 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.569 -0.824 . . . . 73.4 112.11 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 99' ' ' ARG 0.255 35.5 mmt180 79.01 125.93 0.04 OUTLIER 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 125.956 1.702 . . . . 65.3 114.945 177.423 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.1 mt -84.62 128.54 60.83 Favored Pre-proline 0 N--CA 1.427 -1.595 0 CA-C-N 114.268 -1.333 . . . . 72.12 108.13 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.67 136.56 54.53 Favored 'Trans proline' 0 C--O 1.254 1.313 0 C-N-CA 122.267 1.978 . . . . 70.33 111.341 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -29.42 65.49 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.997 0.919 . . . . 43.11 110.657 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.8 -43.86 94.24 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 124.023 0.827 . . . . 72.11 109.759 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.99 -40.79 59.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 114.996 -1.002 . . . . 63.44 109.054 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.63 -40.3 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.744 -0.662 . . . . 70.14 110.247 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.33 -49.19 67.81 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.546 -0.752 . . . . 75.04 109.908 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.4 98.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.106 -0.952 . . . . 55.44 110.459 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -57.02 -54.09 50.69 Favored 'General case' 0 C--O 1.198 -1.61 0 CA-C-N 115.598 -0.728 . . . . 72.52 109.827 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.33 -22.02 62.85 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.618 0.97 . . . . 72.03 113.618 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.03 39.33 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.768 -0.196 . . . . 75.0 111.363 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.6 -31.47 10.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 122.036 0.922 . . . . 60.11 110.566 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.391 -3.394 0 CA-C-N 114.564 -1.198 . . . . 71.34 111.108 -169.734 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 108.984 -0.747 . . . . 71.04 108.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 t -123.8 99.8 6.45 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.81 -0.811 . . . . 71.33 108.81 175.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.62 99.28 2.36 Favored Glycine 0 N--CA 1.424 -2.147 0 N-CA-C 109.501 -1.44 . . . . 71.53 109.501 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -144.45 149.65 36.35 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 122.565 -0.374 . . . . 74.44 110.234 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.66 76.58 0.33 Allowed Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 110.06 -1.216 . . . . 62.45 110.06 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -63.69 139.58 58.78 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.124 0.488 . . . . 64.33 111.676 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.58 -60.0 0.48 Allowed Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 110.166 -1.174 . . . . 72.41 110.166 -177.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 63.42 -91.65 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.384 1.074 . . . . 74.13 111.292 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -128.23 10.64 6.53 Favored Glycine 0 N--CA 1.435 -1.388 0 N-CA-C 110.808 -0.917 . . . . 61.24 110.808 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.28 170.8 15.64 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.195 0.521 . . . . 73.54 110.022 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 58.5 mt -98.87 104.95 16.64 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.601 0.715 . . . . 63.41 109.986 -174.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.15 -56.46 3.91 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 114.469 -1.241 . . . . 61.15 109.434 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -95.55 121.48 37.29 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.287 -1.005 . . . . 61.24 108.287 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -49.21 148.87 2.29 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 114.829 1.418 . . . . 72.31 114.829 -172.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.587 ' O ' HG13 ' A' ' 83' ' ' ILE . 14.9 mm-40 -62.36 -38.38 89.32 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-N 114.585 -1.189 . . . . 75.23 108.999 176.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 m -56.49 -45.07 81.19 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.745 -0.661 . . . . 74.42 110.065 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.93 96.64 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.838 -0.619 . . . . 43.25 109.983 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.73 94.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.561 -0.745 . . . . 35.54 111.704 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 79' ' ' GLN . 70.3 mt -62.02 -42.0 93.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.141 -0.689 . . . . 71.23 109.141 177.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -63.41 -44.77 93.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.002 -0.544 . . . . 73.41 111.111 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.44 -45.26 94.32 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.293 0.371 . . . . 74.51 111.049 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.78 -42.14 99.56 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.27 -0.641 . . . . 72.41 109.27 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -60.08 -48.45 81.66 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.525 -0.761 . . . . 74.4 110.186 177.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -68.16 -27.18 66.2 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 111.881 0.326 . . . . 70.41 111.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -71.89 -36.36 70.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.846 0.355 . . . . 75.33 110.909 174.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -90.43 -19.74 23.56 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.535 0.568 . . . . 74.44 112.535 -176.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.52 30.42 6.55 Favored Glycine 0 N--CA 1.439 -1.137 0 C-N-CA 121.136 -0.554 . . . . 63.22 112.551 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.435 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 73.4 m-70 -99.39 117.17 33.24 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.471 -0.937 . . . . 71.44 108.471 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -86.83 86.07 7.31 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.341 -0.543 . . . . 75.43 109.806 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 m -68.29 145.66 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 N-CA-C 113.528 0.936 . . . . 75.34 113.528 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.0 t -73.88 125.98 29.4 Favored 'General case' 0 N--CA 1.423 -1.796 0 CA-C-N 114.678 -1.146 . . . . 72.4 109.807 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.1 p -101.82 12.69 36.62 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 122.561 1.172 . . . . 51.54 108.568 173.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.31 93.89 5.22 Favored 'General case' 0 N--CA 1.42 -1.937 0 CA-C-N 114.279 -1.328 . . . . 72.32 107.52 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.65 -102.35 2.26 Favored Glycine 0 N--CA 1.426 -2.03 0 N-CA-C 109.4 -1.48 . . . . 42.41 109.4 -175.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -140.56 173.66 11.27 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 109.915 -0.402 . . . . 64.11 109.915 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.51 134.91 88.53 Favored Pre-proline 0 C--N 1.312 -1.037 0 O-C-N 123.896 0.748 . . . . 64.03 109.709 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.5 130.74 36.93 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 122.783 2.322 . . . . 72.03 112.096 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -32.89 51.73 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 123.78 0.832 . . . . 71.11 111.307 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -45.82 78.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.178 0.591 . . . . 62.02 110.686 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.22 -33.54 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-N 115.994 -0.548 . . . . 61.54 109.576 -178.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.3 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.64 -40.1 76.71 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 110.085 -0.339 . . . . 75.54 110.085 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.57 95.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 72.01 110.177 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -60.05 -55.78 29.72 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.346 0.659 . . . . 72.03 110.634 177.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -67.06 -22.11 65.87 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 112.713 0.635 . . . . 60.24 112.713 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.4 20.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.725 0.298 . . . . 63.33 110.42 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.71 36.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.585 0.587 . . . . 60.53 112.585 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 118.572 -0.728 . . . . 64.11 110.29 -177.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.01 0.433 . . . . 40.53 110.255 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.13 87.21 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.495 -0.775 . . . . 40.25 111.25 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.64 -38.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.1 110.609 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -65.26 -43.42 91.34 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.746 -0.206 . . . . 64.55 111.326 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 60.6 mt-10 -63.98 -39.5 94.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.398 -0.521 . . . . 62.22 111.056 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -63.21 -44.7 94.57 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 108.789 -0.819 . . . . 74.31 108.789 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.06 -48.37 76.17 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 114.862 -1.063 . . . . 74.55 109.948 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -64.39 -39.08 93.15 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.86 0.318 . . . . 74.4 111.86 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 64.8 mtt180 -66.84 -27.73 67.77 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.993 0.425 . . . . 72.33 111.64 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -94.9 -12.87 26.06 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.562 0.578 . . . . 63.04 112.562 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.69 23.04 22.17 Favored Glycine 0 C--N 1.312 -0.764 0 C-N-CA 120.945 -0.645 . . . . 74.02 113.482 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.308 -1.231 0 N-CA-C 108.557 -0.905 . . . . 75.13 108.557 178.002 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.1 mt . . . . . 0 N--CA 1.423 -1.788 0 N-CA-C 107.409 -1.33 . . . . 60.24 107.409 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.22 133.57 47.43 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 121.887 1.725 . . . . 71.2 110.985 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.15 -30.44 59.84 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 123.598 0.759 . . . . 70.13 111.036 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.67 -39.22 93.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.1 -0.954 . . . . 65.2 110.739 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -74.35 -37.97 46.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 108.794 -0.817 . . . . 60.24 108.794 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.91 -41.12 91.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.736 -0.666 . . . . 61.45 110.118 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.6 -48.55 69.2 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.97 -0.752 . . . . 71.31 108.97 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.53 87.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.076 -0.965 . . . . 54.02 110.316 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -54.87 -57.44 11.58 Favored 'General case' 0 C--O 1.201 -1.455 0 CA-C-N 115.89 -0.596 . . . . 65.12 110.249 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -68.16 -18.46 64.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.125 0.787 . . . . 73.24 113.125 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.01 30.83 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.368 -0.378 . . . . 71.14 111.371 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.89 -28.19 13.94 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 122.346 1.07 . . . . 62.43 109.543 -175.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.9 m . . . . . 0 N--CA 1.383 -3.787 0 CA-C-N 113.769 -1.559 . . . . 72.15 108.871 -172.491 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 109.914 -0.402 . . . . 72.54 109.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.59 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.757 -0.656 . . . . 72.24 111.458 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.413 HG12 ' CG ' ' A' ' 108' ' ' TYR . 80.2 mt -66.5 -43.12 91.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.505 -0.554 . . . . 73.54 109.505 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -61.6 -43.25 99.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.611 -0.268 . . . . 74.23 111.567 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 57.7 mt-10 -59.54 -49.47 77.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 65.11 110.422 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -60.3 -44.81 95.08 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.085 0.554 . . . . 65.12 109.716 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.9 82.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.429 -0.805 . . . . 75.4 110.649 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -74.64 -21.59 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.652 0.612 . . . . 74.1 112.652 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 34.8 mmt180 -79.54 -30.45 41.77 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.37 -0.532 . . . . 74.01 109.646 175.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -94.87 -17.07 22.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.156 1.169 . . . . 71.25 114.156 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.81 19.58 10.17 Favored Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.03 -1.081 . . . . 72.0 113.92 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 . . . . . 0 C--N 1.306 -1.311 0 N-CA-C 108.907 -0.775 . . . . 73.44 108.907 179.459 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.5 mt . . . . . 0 N--CA 1.435 -1.209 0 N-CA-C 106.616 -1.624 . . . . 65.34 106.616 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -59.24 132.29 45.9 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.02 1.813 . . . . 73.11 111.544 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.69 -30.63 65.64 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 123.817 0.847 . . . . 72.44 110.392 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.14 -40.3 95.47 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.704 1.202 . . . . 73.33 110.516 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.33 -41.28 50.41 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 108.899 -0.778 . . . . 71.44 108.899 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.403 -0.817 . . . . 74.52 109.737 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.19 -46.01 82.49 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.094 -0.957 . . . . 61.1 109.639 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.25 86.41 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.057 -0.974 . . . . 70.31 110.261 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 112' ' ' THR . 73.3 t80 -59.35 -56.37 22.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.542 0.737 . . . . 72.43 110.198 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.59 -24.29 67.04 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 112.335 0.495 . . . . 72.12 112.335 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.35 24.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.975 -0.557 . . . . 50.33 110.644 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.74 51.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.912 1.079 . . . . 73.42 113.912 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 108' ' ' TYR . 15.0 t . . . . . 0 N--CA 1.424 -1.761 0 C-N-CA 119.147 -1.021 . . . . 65.32 111.064 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.811 -0.44 . . . . 64.12 109.811 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.91 92.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.481 -0.781 . . . . 41.52 110.875 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.422 HG12 ' CG ' ' A' ' 108' ' ' TYR . 72.6 mt -64.25 -42.1 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 O-C-N 123.364 0.415 . . . . 63.32 110.347 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -60.8 -46.74 89.33 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.955 0.407 . . . . 74.34 111.049 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 43.4 mt-10 -65.16 -42.52 93.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.989 -0.55 . . . . 63.41 111.458 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.44 -42.9 97.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.924 -0.769 . . . . 71.42 108.924 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.37 -52.17 66.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.436 -0.802 . . . . 74.04 110.045 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -60.24 -40.81 91.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.616 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 82.4 mtt180 -69.65 -26.63 64.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.795 0.665 . . . . 74.44 112.795 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -89.63 -29.52 18.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.315 -0.402 . . . . 73.51 111.529 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.25 24.95 4.28 Favored Glycine 0 C--N 1.314 -0.683 0 C-N-CA 120.67 -0.776 . . . . 75.44 113.043 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.407 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 66.7 m-70 . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 107.315 -1.365 . . . . 74.02 107.315 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.9 mt . . . . . 0 N--CA 1.425 -1.717 0 N-CA-C 105.645 -1.983 . . . . 72.12 105.645 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -60.15 128.6 26.95 Favored 'Trans proline' 0 C--O 1.245 0.867 0 C-N-CA 122.597 2.198 . . . . 54.01 112.023 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -27.19 65.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 53.55 111.849 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.63 -40.69 95.93 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.588 -0.523 . . . . 72.4 109.588 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.78 -39.22 68.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.776 -0.824 . . . . 74.22 108.776 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.58 -41.88 91.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.847 -0.615 . . . . 51.14 110.258 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.12 -46.23 74.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.894 -0.594 . . . . 72.13 110.084 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.93 91.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.399 -0.819 . . . . 73.15 110.18 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.422 ' CG ' HG12 ' A' ' 83' ' ' ILE . 58.5 t80 -54.64 -59.0 5.3 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.634 -0.712 . . . . 73.04 109.989 176.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -69.13 -17.29 63.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.546 0.573 . . . . 75.34 112.546 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.03 31.53 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 122.294 -0.254 . . . . 55.42 110.866 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.9 -42.59 9.96 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 122.419 1.104 . . . . 74.14 108.532 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 46.5 m . . . . . 1 N--CA 1.378 -4.062 0 CA-C-N 112.869 -1.969 . . . . 70.25 109.227 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.724 -0.473 . . . . 62.14 109.724 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.79 91.43 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.722 -0.672 . . . . 72.22 111.198 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 108' ' ' TYR . 71.8 mt -66.31 -44.38 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.919 -0.4 . . . . 74.34 109.919 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -62.26 -40.95 97.9 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.265 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.6 mt-10 -66.34 -39.68 89.35 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.832 0.678 . . . . 74.32 112.832 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -63.81 -43.0 97.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.167 -1.049 . . . . 74.21 108.167 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.52 -45.35 85.11 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.559 -1.201 . . . . 62.21 110.574 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -69.7 -30.6 68.27 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.287 -0.415 . . . . 73.22 112.073 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.9 mmt-85 -69.82 -38.63 76.64 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.226 -0.59 . . . . 71.13 109.665 176.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.42 -12.36 40.46 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.458 0.91 . . . . 75.02 113.458 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.11 35.01 6.87 Favored Glycine 0 C--N 1.313 -0.737 0 C-N-CA 120.862 -0.685 . . . . 51.23 114.284 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.492 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 39.9 m-70 . . . . . 0 C--N 1.311 -1.092 0 CA-C-N 117.321 0.56 . . . . 73.54 109.669 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 N--CA 1.44 -0.969 0 N-CA-C 107.365 -1.346 . . . . 71.43 107.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.07 128.54 30.63 Favored 'Trans proline' 0 C--O 1.261 1.626 0 C-N-CA 122.118 1.879 . . . . 70.42 111.492 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.55 -28.26 44.48 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.712 0.805 . . . . 74.43 112.219 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.31 -37.17 77.65 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 120.523 0.201 . . . . 55.44 110.808 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.3 t -70.73 -38.79 74.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 N-CA-C 108.427 -0.953 . . . . 65.41 108.427 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.77 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.199 -0.909 . . . . 54.53 109.825 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.33 -47.53 76.19 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.497 -0.774 . . . . 65.4 109.541 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.39 93.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.04 -0.982 . . . . 65.31 110.807 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 83' ' ' ILE . 92.4 t80 -59.73 -53.29 59.68 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 123.074 0.55 . . . . 74.53 110.086 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -72.55 -13.89 61.51 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.8 0.667 . . . . 72.03 112.8 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.89 -50.5 11.11 Favored 'General case' 0 N--CA 1.433 -1.293 0 N-CA-C 108.68 -0.859 . . . . 72.24 108.68 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.87 64.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.337 -0.847 . . . . 53.43 111.94 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.421 -1.918 0 CA-C-O 117.689 -1.148 . . . . 74.34 110.195 -178.12 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.244 0 N-CA-C 109.646 -0.502 . . . . 62.42 109.646 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.81 81.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.748 -0.66 . . . . 41.24 111.339 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.416 HG12 ' CD1' ' A' ' 108' ' ' TYR . 71.3 mt -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.792 -0.447 . . . . 74.52 109.792 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -62.72 -44.09 97.12 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.777 -0.647 . . . . 75.25 110.28 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 69.3 mm-40 -59.43 -49.55 77.36 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.107 -0.951 . . . . 71.02 110.338 175.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.6 -43.23 84.52 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.652 0.781 . . . . 75.51 109.599 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -54.04 50.6 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.147 -0.933 . . . . 73.12 110.641 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -60.12 -38.17 82.22 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.995 -0.548 . . . . 74.41 111.839 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 72.6 mtt180 -71.57 -27.67 63.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.12 -0.491 . . . . 70.45 112.116 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.95 -15.19 25.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.609 0.596 . . . . 73.21 112.609 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 23.05 10.89 Favored Glycine 0 C--N 1.309 -0.947 0 C-N-CA 120.609 -0.805 . . . . 54.23 113.21 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 N--CA 1.432 -1.336 0 N-CA-C 107.52 -1.289 . . . . 72.43 107.52 176.15 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.235 0.3 0 N-CA-C 111.278 0.103 . . . . 74.5 111.278 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -73.91 141.39 30.06 Favored 'Trans proline' 0 C--O 1.261 1.641 0 C-N-CA 122.295 1.997 . . . . 73.02 110.622 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.07 -29.51 63.52 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.621 0.768 . . . . 62.13 111.764 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.49 -40.36 94.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.116 0.484 . . . . 74.34 110.563 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.83 -35.76 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.777 -0.647 . . . . 53.11 109.601 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.74 -40.68 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.588 0.709 . . . . 73.33 109.5 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.19 -51.62 62.9 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.031 -0.986 . . . . 75.23 110.425 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.59 95.37 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.215 -0.902 . . . . 44.4 110.255 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.416 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.2 t80 -53.9 -54.49 38.04 Favored 'General case' 0 C--O 1.196 -1.724 0 CA-C-N 115.713 -0.676 . . . . 62.13 110.408 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.98 -22.22 62.21 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.954 0.724 . . . . 74.51 112.954 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.29 49.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.427 -0.351 . . . . 63.21 110.938 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.77 -41.78 5.81 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 122.236 1.017 . . . . 73.33 110.025 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.4 m . . . . . 0 N--CA 1.387 -3.599 0 CA-C-N 113.554 -1.657 . . . . 54.31 110.141 -172.593 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.634 0 CA-C-O 120.509 0.195 . . . . 61.2 110.548 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.73 92.22 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.921 -0.581 . . . . 74.32 110.819 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.19 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.424 -0.584 . . . . 73.24 109.424 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -63.75 -38.54 91.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 63.14 111.36 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 45.4 mt-10 -63.19 -45.34 92.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.373 -0.376 . . . . 65.4 110.595 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.01 -44.31 97.6 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.839 -0.8 . . . . 71.11 108.839 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -55.69 -51.04 68.63 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.175 -0.921 . . . . 72.44 109.701 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' NH2' ' HG2' ' A' ' 85' ' ' GLU . 49.6 mtm180 -61.35 -38.78 88.16 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.925 -0.58 . . . . 73.3 112.418 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 16.2 mmt180 -66.64 -38.41 86.83 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.895 0.378 . . . . 73.52 110.897 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -90.73 -9.31 47.14 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 113.065 0.765 . . . . 74.41 113.065 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.33 30.93 8.75 Favored Glycine 0 C--N 1.312 -0.77 0 C-N-CA 120.646 -0.788 . . . . 40.45 113.261 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.454 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 63.3 m-70 . . . . . 0 N--CA 1.428 -1.538 0 N-CA-C 107.193 -1.41 . . . . 73.31 107.193 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt . . . . . 0 N--CA 1.428 -1.532 0 N-CA-C 109.216 -0.661 . . . . 73.32 109.216 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -64.37 134.04 40.13 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.529 2.153 . . . . 73.24 111.574 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.4 -27.65 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.341 0.657 . . . . 75.24 111.002 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -41.52 98.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.954 -0.566 . . . . 73.43 110.539 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.5 t -74.73 -36.95 41.76 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 N-CA-C 109.357 -0.609 . . . . 71.3 109.357 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 77.8 mt -64.02 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.943 -0.572 . . . . 63.34 110.172 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.1 -40.19 71.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.983 -0.553 . . . . 73.11 110.154 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.41 96.05 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-N 115.992 -0.549 . . . . 45.12 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 70.2 t80 -53.96 -57.29 11.56 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.959 -1.018 . . . . 70.21 109.474 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -67.31 -22.57 65.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.339 0.866 . . . . 61.33 113.339 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.91 -20.97 34.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.736 -0.211 . . . . 32.44 111.424 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.2 -40.23 7.67 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.569 1.176 . . . . 42.21 109.503 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 1 N--CA 1.374 -4.237 0 CA-C-N 113.105 -1.862 . . . . 71.52 110.091 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 109.485 -0.561 . . . . 62.42 109.485 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.76 89.56 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 123.782 0.676 . . . . 73.55 111.145 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.56 -42.58 96.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 110.202 -0.296 . . . . 74.34 110.202 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -60.77 -46.02 92.08 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.023 0.439 . . . . 73.02 110.861 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 8.9 mm-40 -60.87 -48.98 79.32 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.16 -0.927 . . . . 73.44 110.014 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -60.0 -43.59 95.09 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.17 0.588 . . . . 73.53 109.64 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.07 81.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.658 -0.701 . . . . 61.1 110.421 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -74.66 -24.63 58.84 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.291 0.848 . . . . 64.12 113.291 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.4 mmt180 -71.76 -37.57 70.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.089 -0.708 . . . . 61.54 109.089 174.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -89.85 -21.4 22.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.833 1.049 . . . . 65.21 113.833 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.08 24.6 6.49 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.912 -1.137 . . . . 64.11 113.652 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--N 1.307 -1.244 0 N-CA-C 107.459 -1.312 . . . . 70.34 107.459 177.322 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.428 -1.542 0 N-CA-C 107.919 -1.141 . . . . 63.54 107.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -63.39 130.94 30.02 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 121.758 1.638 . . . . 71.14 111.08 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.36 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.373 0.669 . . . . 65.44 110.492 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.45 -41.95 90.87 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.515 -0.766 . . . . 65.23 109.583 175.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.77 -38.51 44.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-N 115.589 -0.732 . . . . 65.04 109.279 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.77 -42.57 92.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 116.039 -0.528 . . . . 73.32 110.162 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.63 -47.81 71.43 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 115.926 -0.579 . . . . 50.13 109.685 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.85 82.12 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.171 0.919 . . . . 54.03 110.555 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -54.54 -59.39 4.77 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 123.695 0.798 . . . . 74.15 110.335 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -67.29 -19.7 65.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.513 0.931 . . . . 63.23 113.513 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.72 -27.35 29.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.446 -0.343 . . . . 53.12 111.361 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.99 -29.19 13.43 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 122.207 1.003 . . . . 65.22 109.892 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.384 -3.729 0 CA-C-N 113.748 -1.569 . . . . 65.53 109.48 -172.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.216 -0.7 0 N-CA-C 109.267 -0.642 . . . . 74.0 109.267 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.94 97.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.915 -0.584 . . . . 74.02 110.687 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.432 HG12 ' CD1' ' A' ' 108' ' ' TYR . 66.5 mt -60.37 -44.2 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.312 -0.625 . . . . 75.33 109.312 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.69 -45.11 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.348 -0.842 . . . . 73.12 111.782 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 34.6 mt-10 -69.43 -37.41 77.41 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.023 -0.535 . . . . 70.24 111.366 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -64.0 -42.79 97.05 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 108.53 -0.915 . . . . 74.21 108.53 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.34 -49.55 75.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.596 -1.184 . . . . 73.42 110.629 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -69.59 -27.31 65.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.825 0.676 . . . . 64.54 112.825 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -70.93 -33.63 70.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.229 0.538 . . . . 75.11 111.359 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.65 -17.2 30.54 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.602 0.593 . . . . 72.13 112.602 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 12.43 33.91 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.907 -0.664 . . . . 70.22 113.695 175.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.446 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 75.8 m-70 . . . . . 0 C--N 1.316 -0.89 0 CA-C-N 117.086 0.443 . . . . 54.04 109.859 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt . . . . . 0 C--O 1.24 0.557 0 N-CA-C 109.16 -0.681 . . . . 75.14 109.16 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.62 134.4 47.37 Favored 'Trans proline' 0 C--O 1.253 1.257 0 C-N-CA 122.4 2.066 . . . . 62.34 112.084 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.25 68.66 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.642 0.777 . . . . 61.14 110.529 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -38.23 85.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.208 -0.451 . . . . 62.24 110.688 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.58 -39.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.249 -0.649 . . . . 64.33 109.249 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.78 -45.55 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.833 -0.621 . . . . 72.14 110.3 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.888 -0.596 . . . . 61.5 110.086 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.37 91.12 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.315 -0.857 . . . . 74.24 110.149 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.51 ' O ' HG22 ' A' ' 112' ' ' THR . 86.6 t80 -58.29 -56.34 23.29 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.468 0.707 . . . . 72.35 110.44 177.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -67.08 -19.05 65.59 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 113.011 0.745 . . . . 71.43 113.011 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.15 -41.7 13.57 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.752 0.311 . . . . 50.53 111.166 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.62 -46.26 22.64 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 113.507 0.929 . . . . 44.31 113.507 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 108' ' ' TYR . 10.5 t . . . . . 0 N--CA 1.429 -1.504 0 C-N-CA 120.002 -0.679 . . . . 74.25 109.346 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.703 0 CA-C-O 120.772 0.32 . . . . 73.43 110.404 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.17 85.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.033 -0.53 . . . . 70.14 111.287 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.26 -43.07 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 109.399 -0.593 . . . . 72.21 109.399 177.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 34.8 mtp180 -62.08 -48.07 81.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.358 -0.837 . . . . 75.23 111.382 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -72.84 -28.3 62.45 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.849 -0.614 . . . . 72.34 112.229 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.9 -40.91 95.83 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 107.896 -1.15 . . . . 63.43 107.896 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -59.58 -43.76 93.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.976 -1.011 . . . . 55.32 109.754 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 1.1 mmp_? -62.22 -45.3 93.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.37 -0.377 . . . . 61.14 110.365 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -59.9 -35.58 75.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.66 0.743 . . . . 74.14 110.541 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -95.29 -9.49 32.93 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 114.128 1.158 . . . . 55.22 114.128 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.55 35.37 10.51 Favored Glycine 0 C--N 1.312 -0.773 0 C-N-CA 119.982 -1.104 . . . . 72.35 112.54 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.479 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 92.9 m-70 . . . . . 0 C--N 1.3 -1.583 0 N-CA-C 108.933 -0.766 . . . . 72.54 108.933 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt . . . . . 0 N--CA 1.422 -1.873 0 N-CA-C 107.691 -1.225 . . . . 74.51 107.691 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.46 134.33 57.7 Favored 'Trans proline' 0 C--O 1.252 1.19 0 C-N-CA 122.238 1.959 . . . . 64.42 111.059 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.44 62.57 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 115.672 -0.694 . . . . 61.4 110.969 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -61.61 -39.9 92.91 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.475 -0.329 . . . . 72.24 110.447 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.9 t -75.71 -39.84 39.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 N-CA-C 109.369 -0.604 . . . . 53.42 109.369 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.81 -43.4 97.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.385 0.612 . . . . 75.11 109.904 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.33 -45.7 79.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.381 -0.827 . . . . 73.21 110.033 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.67 91.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.286 -0.87 . . . . 74.51 110.479 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.72 -57.22 13.71 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.917 0.887 . . . . 71.21 110.023 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -66.12 -23.64 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.159 0.429 . . . . 64.0 112.159 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.19 -30.93 43.66 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 122.328 -0.232 . . . . 61.44 110.893 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.72 -51.07 6.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.454 0.538 . . . . 41.42 112.454 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.256 1.407 0 N-CA-C 109.106 -0.702 . . . . 63.14 109.106 -178.559 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 109.04 -0.726 . . . . 74.44 109.04 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.76 88.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 74.34 110.754 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.439 HG12 ' CD2' ' A' ' 108' ' ' TYR . 66.4 mt -64.41 -42.56 95.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.379 -0.6 . . . . 61.24 109.379 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -59.39 -46.43 88.71 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.928 -0.578 . . . . 71.22 110.897 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.1 mm-40 -59.13 -50.24 74.81 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.76 -0.654 . . . . 74.21 111.244 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.1 -42.92 95.72 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 123.38 0.672 . . . . 71.22 109.932 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -56.39 -50.23 72.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.592 -0.731 . . . . 74.53 109.772 177.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.24 -37.22 86.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.833 -0.622 . . . . 74.13 112.285 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.3 mmt180 -65.86 -36.21 82.81 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.246 0.546 . . . . 70.14 110.313 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -91.59 -12.81 33.26 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 112.957 0.725 . . . . 74.12 112.957 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.72 24.44 17.92 Favored Glycine 0 C--N 1.307 -1.028 0 C-N-CA 120.825 -0.703 . . . . 64.43 113.205 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 55.5 m-70 . . . . . 0 C--N 1.304 -1.409 0 N-CA-C 108.106 -1.072 . . . . 64.41 108.106 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 N--CA 1.432 -1.365 0 N-CA-C 107.005 -1.479 . . . . 74.33 107.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.46 130.66 36.63 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.492 2.128 . . . . 73.23 112.679 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.55 -29.8 66.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.626 0.771 . . . . 71.24 110.696 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.66 -41.24 97.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.807 -0.633 . . . . 53.43 109.826 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.22 -36.93 44.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 115.65 -0.705 . . . . 54.24 109.121 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.5 -45.46 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.575 . . . . 71.41 109.969 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.63 -42.37 91.58 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.047 -0.524 . . . . 65.24 109.79 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.79 95.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.227 -0.897 . . . . 54.23 110.296 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.439 ' CD2' HG12 ' A' ' 83' ' ' ILE . 85.6 t80 -59.62 -55.77 30.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.847 0.859 . . . . 74.22 109.887 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -69.95 -13.99 62.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.82 0.674 . . . . 71.03 112.82 -178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.41 -32.98 19.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.793 0.33 . . . . 74.53 110.703 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.1 -46.05 13.25 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 112.376 0.509 . . . . 51.14 112.376 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.426 -1.674 0 CA-C-O 118.152 -0.928 . . . . 70.23 111.005 -177.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 110.044 -0.354 . . . . 75.13 110.044 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.03 84.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.796 -0.638 . . . . 63.33 110.005 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 109.321 -0.622 . . . . 72.42 109.321 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 57.8 mtp180 -61.91 -41.93 98.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.764 -0.653 . . . . 63.4 111.198 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.643 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 38.7 mm-40 -60.06 -49.66 76.79 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 122.667 0.387 . . . . 71.32 110.314 176.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.08 -44.04 91.84 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 123.403 0.681 . . . . 72.22 109.222 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -58.83 -41.85 87.84 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.317 -0.856 . . . . 72.1 110.694 178.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 36.6 mmt180 -65.96 -36.87 84.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.024 -0.534 . . . . 73.43 111.214 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.3 mmt180 -72.0 -40.16 68.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.264 0.554 . . . . 73.42 110.483 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -82.44 -20.35 37.16 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.587 -0.733 . . . . 73.21 112.436 -177.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.88 42.54 3.29 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.192 -1.004 . . . . 73.14 113.353 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.472 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 66.1 m-70 . . . . . 0 C--N 1.298 -1.631 0 N-CA-C 109.333 -0.617 . . . . 75.52 109.333 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.4 mt . . . . . 0 N--CA 1.429 -1.507 0 N-CA-C 107.246 -1.39 . . . . 74.43 107.246 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.44 136.64 60.3 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 122.014 1.809 . . . . 65.13 111.721 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -26.8 66.3 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 123.442 0.697 . . . . 74.3 110.359 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.34 -39.52 94.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.994 -0.548 . . . . 75.04 110.405 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.51 -40.77 63.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.433 -0.951 . . . . 73.15 108.433 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.84 -40.67 89.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.425 -0.807 . . . . 52.33 110.188 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.69 -50.23 65.64 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.687 -0.688 . . . . 64.11 109.314 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.79 89.81 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.233 -0.894 . . . . 62.15 110.523 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -55.5 -54.87 38.54 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.883 0.873 . . . . 74.31 109.97 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.54 -14.32 60.4 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.976 0.732 . . . . 64.35 112.976 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.7 -15.75 27.97 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 122.258 -0.276 . . . . 51.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.7 -41.68 6.81 Favored 'General case' 0 CA--C 1.479 -1.781 0 CA-C-O 122.199 0.999 . . . . 63.33 108.633 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.383 -3.81 0 CA-C-N 113.251 -1.795 . . . . 74.31 109.497 -174.326 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 120.571 0.224 . . . . 74.0 110.619 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.37 85.6 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.795 -0.639 . . . . 60.23 111.148 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.79 -44.75 96.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.507 -0.553 . . . . 51.13 109.507 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -60.86 -41.69 96.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.943 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.52 -42.28 87.5 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 73.15 111.583 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -64.64 -43.11 94.71 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.07 -0.715 . . . . 75.44 109.07 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.53 69.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.375 -0.83 . . . . 75.02 110.047 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -61.66 -40.51 95.2 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.839 -0.618 . . . . 74.02 112.459 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -71.04 -28.54 64.45 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.368 0.507 . . . . 70.02 112.368 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -94.3 -11.2 30.58 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.704 0.631 . . . . 73.43 112.704 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.68 24.44 20.76 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.671 -0.776 . . . . 70.11 113.496 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 . . . . . 0 C--N 1.305 -1.35 0 N-CA-C 109.292 -0.633 . . . . 72.32 109.292 177.3 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.8 mt . . . . . 0 N--CA 1.433 -1.291 0 N-CA-C 108.753 -0.832 . . . . 73.52 108.753 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.4 131.36 24.59 Favored 'Trans proline' 0 C--O 1.251 1.173 0 C-N-CA 121.702 1.601 . . . . 72.23 110.393 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.74 -22.57 65.5 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 122.921 0.488 . . . . 73.13 111.549 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.99 -39.5 94.26 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.716 -0.846 . . . . 75.02 108.716 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.44 -37.68 30.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-N 115.413 -0.812 . . . . 51.25 108.823 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.08 -46.24 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.905 -0.588 . . . . 73.11 110.06 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.33 -44.27 75.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.051 -0.522 . . . . 60.33 110.207 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.09 84.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.847 -0.615 . . . . 63.04 110.072 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.99 -56.85 15.74 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.079 0.952 . . . . 60.2 110.782 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -67.44 -23.73 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.606 0.595 . . . . 72.13 112.606 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.3 -20.24 28.68 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.099 0.476 . . . . 75.2 111.057 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.46 -49.34 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.348 0.869 . . . . 45.24 113.348 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.251 1.174 0 C-N-CA 120.373 -0.531 . . . . 65.22 110.758 -173.806 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 120.638 0.256 . . . . 74.11 110.609 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.19 93.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 61.21 111.173 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.451 HG12 ' CD2' ' A' ' 108' ' ' TYR . 68.2 mt -66.31 -43.49 91.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.287 -0.634 . . . . 75.21 109.287 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -59.57 -44.57 93.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.683 -0.69 . . . . 73.32 111.234 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -68.28 -37.75 81.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.614 -0.721 . . . . 72.43 111.317 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -63.35 -41.26 98.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.272 -1.01 . . . . 64.44 108.272 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -59.01 -46.86 87.12 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.1 -0.954 . . . . 44.11 110.583 177.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 -64.1 -43.08 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.941 -0.304 . . . . 74.23 111.125 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -60.26 -37.33 80.08 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.162 0.585 . . . . 74.24 111.226 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -89.16 -21.92 23.08 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.032 0.753 . . . . 71.1 113.032 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.58 35.09 4.48 Favored Glycine 0 C--N 1.315 -0.598 0 C-N-CA 120.794 -0.717 . . . . 44.44 113.204 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.428 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 75.2 m-70 . . . . . 0 C--N 1.306 -1.311 0 O-C-N 122.511 -0.405 . . . . 74.55 109.986 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--O 1.243 0.752 0 N-CA-C 111.251 0.093 . . . . 62.43 111.251 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.11 133.79 42.75 Favored 'Trans proline' 0 C--O 1.257 1.43 0 C-N-CA 122.357 2.038 . . . . 51.44 110.804 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.21 63.1 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.443 0.697 . . . . 74.33 112.283 -177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -64.12 -42.66 96.76 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.158 -0.682 . . . . 74.01 109.158 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.2 t -72.54 -39.5 61.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.282 -0.872 . . . . 74.12 108.724 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 68.5 mt -59.57 -45.54 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.604 . . . . 73.52 110.941 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.79 -43.51 83.74 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 120.764 -0.374 . . . . 63.14 110.01 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.66 86.38 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.882 -0.599 . . . . 61.3 110.617 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.451 ' CD2' HG12 ' A' ' 83' ' ' ILE . 74.1 t80 -59.19 -58.49 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.01 0.924 . . . . 75.01 110.606 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -66.18 -18.57 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.08 0.4 . . . . 61.21 112.08 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.74 26.22 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 73.44 110.677 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.74 -33.99 21.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.01 0.744 . . . . 75.05 113.01 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.43 -1.455 0 C-N-CA 120.215 -0.594 . . . . 74.23 110.537 -178.591 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.721 0 CA-C-O 120.439 0.161 . . . . 73.54 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.42 99.39 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.897 0.748 . . . . 65.14 110.721 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.87 -45.22 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.048 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -58.66 -43.7 89.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.317 0.58 . . . . 71.15 110.443 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -63.41 -41.12 98.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.732 -0.667 . . . . 64.35 112.314 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -66.49 -41.31 89.14 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.162 -0.681 . . . . 65.34 109.162 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.094 -0.957 . . . . 73.14 110.52 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -69.9 -35.1 74.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.285 -0.416 . . . . 74.53 111.266 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -62.82 -38.05 89.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 121.338 0.589 . . . . 64.4 112.007 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -89.4 -30.12 18.58 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.601 -0.727 . . . . 75.55 112.671 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 45.03 1.52 Allowed Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.315 -0.945 . . . . 63.04 112.367 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 C--N 1.3 -1.544 0 N-CA-C 108.771 -0.826 . . . . 71.55 108.771 176.254 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.9 mt . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 109.37 -0.604 . . . . 43.22 109.37 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.96 136.07 34.09 Favored 'Trans proline' 0 C--O 1.254 1.308 0 C-N-CA 122.11 1.874 . . . . 73.12 111.353 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.12 67.37 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 116.102 -0.499 . . . . 73.3 111.054 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.27 -42.16 85.89 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.063 -0.517 . . . . 75.01 110.479 174.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.03 -37.6 47.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.287 -0.635 . . . . 60.1 109.287 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.01 -43.88 99.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.864 -0.607 . . . . 72.41 110.303 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.54 -43.59 89.44 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 108.985 -0.746 . . . . 75.51 108.985 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.54 99.48 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.938 -1.028 . . . . 62.24 110.467 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.97 -53.69 49.36 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 123.58 0.752 . . . . 74.13 109.289 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -71.89 -18.45 62.04 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.951 0.723 . . . . 53.1 112.951 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.86 -25.05 30.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.624 -0.262 . . . . 54.44 111.341 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.47 -41.28 7.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 122.335 1.064 . . . . 73.33 109.836 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.381 -3.891 0 CA-C-N 113.479 -1.692 . . . . 73.11 109.782 -173.681 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.206 -1.185 0 N-CA-C 110.741 -0.096 . . . . 35.0 110.741 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.85 90.18 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.939 0.4 . . . . 75.15 110.374 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -63.01 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 N-CA-C 108.6 -0.889 . . . . 53.54 108.6 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.12 -38.39 85.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 75.34 112.042 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 74.2 mm-40 -56.82 -48.34 78.21 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.994 -0.743 . . . . 72.43 108.994 174.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -65.22 -43.32 91.85 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.166 -0.924 . . . . 72.31 109.869 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.38 -45.37 84.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 71.53 110.087 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -64.39 -40.18 95.3 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.077 -0.51 . . . . 74.34 112.06 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -60.77 -38.23 84.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.476 0.655 . . . . 74.34 110.689 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -90.56 -11.98 38.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.587 0.958 . . . . 72.21 113.587 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.69 36.89 7.13 Favored Glycine 0 C--N 1.308 -0.997 0 C-N-CA 120.277 -0.963 . . . . 54.53 112.938 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.492 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 49.9 m-70 . . . . . 0 C--N 1.299 -1.59 0 N-CA-C 108.855 -0.794 . . . . 72.43 108.855 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 C--O 1.234 0.256 0 N-CA-C 110.107 -0.331 . . . . 72.45 110.107 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.33 137.39 80.23 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 122.513 2.142 . . . . 70.23 111.89 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.23 -27.06 63.59 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.151 -0.931 . . . . 75.14 110.77 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.58 -43.93 93.49 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 116.248 -0.433 . . . . 72.13 110.558 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.28 -41.06 57.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.92 -0.77 . . . . 71.54 108.92 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.0 -39.2 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.366 0.603 . . . . 75.2 110.526 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.8 -47.23 72.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.558 -0.746 . . . . 74.42 109.699 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.33 94.2 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.242 -0.89 . . . . 64.15 109.976 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -55.96 -55.56 31.22 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.289 1.036 . . . . 73.04 111.021 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -71.1 -25.76 62.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.659 -0.417 . . . . 71.11 112.038 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.54 71.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.067 0.461 . . . . 33.41 110.344 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.28 -48.1 8.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.707 -0.678 . . . . 64.31 112.558 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.262 1.755 0 CA-C-O 118.562 -0.732 . . . . 64.43 110.952 -177.25 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.271 0 CA-C-O 120.518 0.199 . . . . 71.42 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.81 86.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 116.137 -0.483 . . . . 54.4 110.633 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.31 -40.95 89.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 109.183 -0.673 . . . . 71.32 109.183 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -61.26 -43.57 98.67 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.86 -0.609 . . . . 71.41 111.439 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 35.9 mm-40 -58.11 -46.56 85.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 122.643 0.377 . . . . 71.1 110.7 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -64.78 -42.82 94.79 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.952 -0.758 . . . . 72.32 108.952 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.27 85.84 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.224 -0.898 . . . . 61.03 110.242 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.7 OUTLIER -62.6 -39.51 93.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 73.24 110.441 179.554 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.5 mmt180 -62.06 -44.8 95.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.372 0.606 . . . . 62.14 110.467 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.84 -28.42 44.33 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.187 -0.915 . . . . 75.04 112.331 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.59 22.2 8.26 Favored Glycine 0 C--N 1.307 -1.039 0 C-N-CA 120.317 -0.944 . . . . 74.0 112.058 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--N 1.312 -1.05 0 N-CA-C 108.94 -0.763 . . . . 71.12 108.94 178.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.1 mt . . . . . 0 N--CA 1.43 -1.441 0 N-CA-C 107.263 -1.384 . . . . 72.43 107.263 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.81 133.97 51.0 Favored 'Trans proline' 0 C--O 1.251 1.155 0 C-N-CA 122.399 2.066 . . . . 61.5 111.629 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.46 -25.51 66.06 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-N 115.639 -0.709 . . . . 71.05 110.558 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.38 -40.67 91.67 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.255 0.622 . . . . 61.33 110.054 174.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.2 t -76.04 -38.29 34.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 N-CA-C 108.904 -0.776 . . . . 50.53 108.904 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.22 -42.1 94.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 115.97 -0.559 . . . . 61.41 110.477 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.04 -47.01 72.67 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.983 -0.553 . . . . 74.34 109.612 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.88 90.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 74.24 110.55 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.7 -56.24 21.32 Favored 'General case' 0 C--O 1.194 -1.829 0 C-N-CA 123.595 0.758 . . . . 73.01 109.619 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -72.38 -12.18 61.01 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.342 0.867 . . . . 63.14 113.342 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.64 -30.33 24.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.433 -0.349 . . . . 73.24 110.63 175.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.18 -36.57 10.41 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 122.429 1.109 . . . . 72.12 109.442 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m . . . . . 1 N--CA 1.377 -4.091 0 CA-C-N 113.119 -1.855 . . . . 70.21 108.978 -173.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.441 -0.893 0 N-CA-C 109.721 -0.474 . . . . 75.23 109.721 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.66 92.86 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.726 -0.67 . . . . 62.22 111.535 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.492 ' HB ' HD13 ' A' ' 100' ' ' ILE . 77.5 mt -67.92 -36.53 75.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.944 -0.391 . . . . 55.43 109.944 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HG3' HD11 ' A' ' 100' ' ' ILE . 59.8 mtp180 -67.47 -37.67 83.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.87 0.322 . . . . 72.15 111.87 177.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.9 mt-10 -63.1 -44.22 96.31 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.664 -0.495 . . . . 72.04 109.664 174.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -62.83 -43.72 98.05 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 115.639 -0.71 . . . . 74.43 109.215 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.84 0.856 . . . . 70.34 110.734 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -69.19 -33.96 74.17 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.558 -0.292 . . . . 71.41 111.559 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 10.4 mmm180 -62.95 -39.93 96.14 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.56 0.695 . . . . 64.2 111.002 176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.3 -26.86 22.06 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.205 -0.907 . . . . 74.54 112.893 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.23 28.83 3.94 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.401 -0.905 . . . . 61.15 113.539 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 . . . . . 0 C--N 1.309 -1.154 0 N-CA-C 109.636 -0.505 . . . . 73.21 109.636 179.308 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.492 HD13 ' HB ' ' A' ' 83' ' ' ILE . 14.7 mt . . . . . 0 N--CA 1.439 -0.987 0 N-CA-C 112.907 0.706 . . . . 64.23 112.907 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.54 145.82 48.12 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 122.393 2.062 . . . . 65.35 110.56 173.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.69 58.67 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 123.865 0.866 . . . . 73.21 110.807 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.39 -41.72 94.42 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.557 0.694 . . . . 64.43 110.679 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.87 -37.16 27.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.14 -0.689 . . . . 74.14 109.14 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.97 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 CA-C-N 115.964 -0.562 . . . . 72.21 110.155 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.2 -51.83 53.89 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.604 -0.726 . . . . 75.52 109.317 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.23 87.41 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.256 -0.884 . . . . 44.04 110.826 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -56.25 -56.96 14.59 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 115.927 -0.579 . . . . 74.31 110.19 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -70.61 -15.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.699 0.629 . . . . 62.32 112.699 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.84 -28.22 33.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.489 -0.323 . . . . 72.21 110.725 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.93 -27.38 13.62 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 122.148 0.975 . . . . 62.23 110.057 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.2 m . . . . . 1 N--CA 1.375 -4.184 0 CA-C-N 113.926 -1.488 . . . . 74.24 109.691 -172.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 109.385 -0.598 . . . . 64.03 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.54 83.2 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 116.009 -0.541 . . . . 63.14 111.325 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.5 mt -66.11 -39.65 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.431 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -68.32 -42.18 79.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.633 0.234 . . . . 74.24 111.633 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.49 -41.34 97.13 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 111.554 0.205 . . . . 71.12 111.554 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' ARG . 66.4 t90 -64.67 -41.45 96.07 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 109.167 -0.679 . . . . 75.13 109.167 177.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -56.59 -51.41 68.75 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.078 -0.964 . . . . 51.51 109.919 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -65.85 -30.75 71.41 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.751 -0.659 . . . . 74.04 112.443 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 86' ' ' TRP . 16.9 mmt85 -61.54 -44.7 96.58 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.557 0.694 . . . . 52.3 109.168 172.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -90.08 -7.87 52.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 114.269 1.211 . . . . 64.13 114.269 -174.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.3 4.34 50.29 Favored Glycine 0 C--N 1.306 -1.096 0 C-N-CA 120.589 -0.815 . . . . 73.31 113.673 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.521 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 72.8 m-70 . . . . . 0 C--N 1.3 -1.547 0 N-CA-C 107.578 -1.268 . . . . 63.51 107.578 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 109.547 -0.538 . . . . 71.04 109.547 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.71 131.84 48.07 Favored 'Trans proline' 0 C--O 1.247 0.97 0 C-N-CA 122.492 2.128 . . . . 74.02 111.439 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.58 67.54 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.22 0.608 . . . . 71.13 110.488 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.91 -41.65 92.16 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.646 -0.501 . . . . 64.44 109.646 175.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.86 -41.17 61.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.418 -0.586 . . . . 71.13 109.418 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.63 -45.31 98.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.708 -0.678 . . . . 74.23 110.482 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.7 -44.57 77.39 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.791 -0.641 . . . . 73.22 109.797 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.87 93.74 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.299 -0.864 . . . . 62.23 110.588 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -57.33 -56.55 20.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 123.532 0.733 . . . . 74.31 110.323 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -68.67 -17.36 64.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.333 0.864 . . . . 72.34 113.333 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.18 -35.6 16.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.832 0.348 . . . . 62.23 111.601 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.31 9.02 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 112.886 0.699 . . . . 60.34 112.886 -174.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.421 -1.889 0 N-CA-C 109.325 -0.62 . . . . 70.44 109.325 -174.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 110.613 -0.143 . . . . 75.12 110.613 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.48 99.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 O-C-N 123.244 0.34 . . . . 63.32 111.176 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.07 -43.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 109.345 -0.613 . . . . 74.23 109.345 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 54.8 mtp180 -63.82 -43.12 97.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 75.32 111.814 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 48.2 mt-10 -66.04 -39.76 90.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.667 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -63.15 -43.33 98.64 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.594 -0.891 . . . . 75.02 108.594 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.2 83.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.185 -0.916 . . . . 42.13 110.373 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 39.2 mmt180 -59.86 -44.33 94.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 71.43 110.616 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 99.5 mtt180 -63.47 -38.32 90.67 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.629 0.728 . . . . 74.13 112.025 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -90.08 -10.7 43.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.152 -0.931 . . . . 73.14 112.804 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.04 34.65 9.62 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.283 -0.96 . . . . 61.52 112.45 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--N 1.304 -1.395 0 N-CA-C 109.598 -0.519 . . . . 60.34 109.598 177.882 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.427 -1.595 0 N-CA-C 108.13 -1.063 . . . . 72.12 108.13 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.67 136.56 54.53 Favored 'Trans proline' 0 C--O 1.254 1.313 0 C-N-CA 122.267 1.978 . . . . 70.33 111.341 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -29.42 65.49 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.997 0.919 . . . . 43.11 110.657 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.8 -43.86 94.24 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 124.023 0.827 . . . . 72.11 109.759 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.99 -40.79 59.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 114.996 -1.002 . . . . 63.44 109.054 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.63 -40.3 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.744 -0.662 . . . . 70.14 110.247 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.33 -49.19 67.81 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.546 -0.752 . . . . 75.04 109.908 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.4 98.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.106 -0.952 . . . . 55.44 110.459 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -57.02 -54.09 50.69 Favored 'General case' 0 C--O 1.198 -1.61 0 CA-C-N 115.598 -0.728 . . . . 72.52 109.827 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.33 -22.02 62.85 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.618 0.97 . . . . 72.03 113.618 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.03 39.33 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.768 -0.196 . . . . 75.0 111.363 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.6 -31.47 10.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 122.036 0.922 . . . . 60.11 110.566 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.391 -3.394 0 CA-C-N 114.564 -1.198 . . . . 71.34 111.108 -169.734 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 120.909 0.385 . . . . 43.25 109.983 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.73 94.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.561 -0.745 . . . . 35.54 111.704 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.02 -42.0 93.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.141 -0.689 . . . . 71.23 109.141 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -63.41 -44.77 93.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.002 -0.544 . . . . 73.41 111.111 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.44 -45.26 94.32 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.293 0.371 . . . . 74.51 111.049 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.78 -42.14 99.56 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.27 -0.641 . . . . 72.41 109.27 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -60.08 -48.45 81.66 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.525 -0.761 . . . . 74.4 110.186 177.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -68.16 -27.18 66.2 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 111.881 0.326 . . . . 70.41 111.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -71.89 -36.36 70.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.846 0.355 . . . . 75.33 110.909 174.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -90.43 -19.74 23.56 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.535 0.568 . . . . 74.44 112.535 -176.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.52 30.42 6.55 Favored Glycine 0 N--CA 1.439 -1.137 0 C-N-CA 121.136 -0.554 . . . . 63.22 112.551 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.435 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 73.4 m-70 . . . . . 0 C--N 1.311 -1.108 0 N-CA-C 108.471 -0.937 . . . . 71.44 108.471 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 109.709 -0.478 . . . . 64.03 109.709 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.5 130.74 36.93 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 122.783 2.322 . . . . 72.03 112.096 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -32.89 51.73 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 123.78 0.832 . . . . 71.11 111.307 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -45.82 78.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.178 0.591 . . . . 62.02 110.686 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.22 -33.54 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-N 115.994 -0.548 . . . . 61.54 109.576 -178.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.3 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.64 -40.1 76.71 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 110.085 -0.339 . . . . 75.54 110.085 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.57 95.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 72.01 110.177 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -60.05 -55.78 29.72 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.346 0.659 . . . . 72.03 110.634 177.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -67.06 -22.11 65.87 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 112.713 0.635 . . . . 60.24 112.713 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.4 20.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.725 0.298 . . . . 63.33 110.42 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.71 36.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.585 0.587 . . . . 60.53 112.585 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 118.572 -0.728 . . . . 64.11 110.29 -177.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 111.98 0.363 . . . . 74.3 111.98 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 t -107.8 102.37 11.59 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 109.851 -0.425 . . . . 75.23 109.851 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.87 136.55 3.58 Favored Glycine 0 N--CA 1.435 -1.399 0 CA-C-N 115.911 -0.586 . . . . 44.12 111.978 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m -106.98 2.64 25.32 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.564 0.697 . . . . 75.54 109.952 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.2 -117.04 5.74 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 115.883 -0.598 . . . . 71.04 112.432 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 60.99 84.49 0.13 Allowed 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 125.144 1.378 . . . . 71.54 113.064 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.54 -27.78 21.31 Favored Glycine 0 N--CA 1.427 -1.96 0 C-N-CA 119.298 -1.43 . . . . 71.22 110.695 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -96.5 143.99 27.01 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 112.54 0.57 . . . . 73.13 112.54 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -108.1 -149.63 14.7 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 110.099 -1.201 . . . . 51.53 110.099 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.46 -153.21 0.37 Allowed 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 117.358 0.579 . . . . 51.45 109.928 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mt -102.29 79.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 CA-C-O 122.6 1.19 . . . . 74.53 108.682 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -98.36 -21.82 16.41 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-N 112.672 -2.058 . . . . 75.44 109.239 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -112.99 -169.39 1.47 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.231 -1.025 . . . . 71.24 108.231 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.93 139.98 55.1 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 120.275 -0.57 . . . . 71.21 111.089 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.467 ' O ' HG13 ' A' ' 83' ' ' ILE . 84.9 mt-30 -57.28 -48.53 78.66 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.207 0.942 . . . . 73.33 110.39 -176.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 m -58.58 -45.93 88.0 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.772 -0.649 . . . . 72.32 111.204 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.56 95.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.228 -0.442 . . . . 40.53 110.255 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.13 87.21 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.495 -0.775 . . . . 40.25 111.25 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 79' ' ' GLN . 72.7 mt -64.64 -38.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 74.1 110.609 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -65.26 -43.42 91.34 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.746 -0.206 . . . . 64.55 111.326 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 60.6 mt-10 -63.98 -39.5 94.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.398 -0.521 . . . . 62.22 111.056 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -63.21 -44.7 94.57 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 108.789 -0.819 . . . . 74.31 108.789 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.06 -48.37 76.17 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 114.862 -1.063 . . . . 74.55 109.948 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -64.39 -39.08 93.15 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 111.86 0.318 . . . . 74.4 111.86 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 64.8 mtt180 -66.84 -27.73 67.77 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.993 0.425 . . . . 72.33 111.64 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -94.9 -12.87 26.06 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.562 0.578 . . . . 63.04 112.562 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.69 23.04 22.17 Favored Glycine 0 C--N 1.312 -0.764 0 C-N-CA 120.945 -0.645 . . . . 74.02 113.482 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -92.2 131.0 37.78 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.557 -0.905 . . . . 75.13 108.557 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -85.95 87.15 7.37 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.721 0.772 . . . . 72.52 111.551 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.7 t -105.11 99.3 8.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.465 -0.939 . . . . 74.32 108.465 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.7 t -168.64 -53.68 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.749 -0.834 . . . . 33.44 108.749 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.7 p -67.42 -30.51 70.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 114.002 1.112 . . . . 52.45 114.002 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -72.83 -15.91 61.61 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.224 0.453 . . . . 64.45 112.224 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.49 7.98 65.68 Favored Glycine 0 N--CA 1.464 0.565 0 CA-C-O 121.208 0.338 . . . . 65.11 112.414 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -154.12 161.29 41.99 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 104.984 -2.228 . . . . 71.34 104.984 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.1 mt -88.45 124.74 65.46 Favored Pre-proline 0 C--N 1.292 -1.927 0 N-CA-C 107.409 -1.33 . . . . 60.24 107.409 174.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.22 133.57 47.43 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 121.887 1.725 . . . . 71.2 110.985 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.15 -30.44 59.84 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 123.598 0.759 . . . . 70.13 111.036 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.67 -39.22 93.8 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.1 -0.954 . . . . 65.2 110.739 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -74.35 -37.97 46.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 N-CA-C 108.794 -0.817 . . . . 60.24 108.794 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.91 -41.12 91.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.736 -0.666 . . . . 61.45 110.118 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.6 -48.55 69.2 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.97 -0.752 . . . . 71.31 108.97 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.53 87.67 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.076 -0.965 . . . . 54.02 110.316 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -54.87 -57.44 11.58 Favored 'General case' 0 C--O 1.201 -1.455 0 CA-C-N 115.89 -0.596 . . . . 65.12 110.249 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -68.16 -18.46 64.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.125 0.787 . . . . 73.24 113.125 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.01 30.83 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.368 -0.378 . . . . 71.14 111.371 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.89 -28.19 13.94 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 122.346 1.07 . . . . 62.43 109.543 -175.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.9 m . . . . . 0 N--CA 1.383 -3.787 0 CA-C-N 113.769 -1.559 . . . . 72.15 108.871 -172.491 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.407 0 CA-C-O 120.837 0.351 . . . . 73.35 110.82 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.0 m -123.08 -6.46 8.37 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 121.639 0.733 . . . . 75.14 109.69 176.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.32 -164.18 14.28 Favored Glycine 0 N--CA 1.425 -2.06 0 N-CA-C 109.55 -1.42 . . . . 71.24 109.55 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 m -121.13 -43.73 2.42 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 109.512 -0.551 . . . . 61.11 109.512 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.49 -157.39 50.74 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 110.533 -1.027 . . . . 70.44 110.533 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.88 -42.87 60.1 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.033 0.444 . . . . 74.24 110.814 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.57 99.88 0.64 Allowed Glycine 0 N--CA 1.428 -1.875 0 C-N-CA 120.299 -0.953 . . . . 73.2 111.274 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 65.62 -153.21 0.26 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 124.234 1.013 . . . . 73.04 110.371 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.38 -13.6 51.3 Favored Glycine 0 CA--C 1.498 -1.022 0 N-CA-C 108.152 -1.979 . . . . 73.54 108.152 -174.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.64 165.71 3.76 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 102.98 -2.97 . . . . 54.34 102.98 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 68.1 mt -94.59 128.27 45.96 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.99 0 N-CA-C 108.547 -0.908 . . . . 53.34 108.547 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.29 -35.38 21.53 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.704 -0.68 . . . . 73.0 110.914 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -82.93 173.41 11.83 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.917 -1.142 . . . . 74.33 107.917 175.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.37 130.77 44.32 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 106.906 -1.516 . . . . 74.5 106.906 169.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.577 ' O ' HG13 ' A' ' 83' ' ' ILE . 81.0 mt-30 -58.62 -41.82 86.81 Favored 'General case' 0 C--O 1.202 -1.401 0 O-C-N 123.937 0.773 . . . . 54.23 109.153 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -60.29 -45.57 92.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.869 -0.605 . . . . 74.12 110.317 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.93 -44.67 80.06 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.837 -0.62 . . . . 72.54 109.914 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.59 91.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.757 -0.656 . . . . 72.24 111.458 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 79' ' ' GLN . 80.2 mt -66.5 -43.12 91.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.505 -0.554 . . . . 73.54 109.505 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -61.6 -43.25 99.2 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.611 -0.268 . . . . 74.23 111.567 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 57.7 mt-10 -59.54 -49.47 77.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 65.11 110.422 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -60.3 -44.81 95.08 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 123.085 0.554 . . . . 65.12 109.716 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.9 82.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.429 -0.805 . . . . 75.4 110.649 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -74.64 -21.59 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.652 0.612 . . . . 74.1 112.652 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 34.8 mmt180 -79.54 -30.45 41.77 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.37 -0.532 . . . . 74.01 109.646 175.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -94.87 -17.07 22.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.156 1.169 . . . . 71.25 114.156 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.81 19.58 10.17 Favored Glycine 0 C--N 1.313 -0.721 0 C-N-CA 120.03 -1.081 . . . . 72.0 113.92 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -91.99 131.37 37.33 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.907 -0.775 . . . . 73.44 108.907 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -86.32 105.55 16.75 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.271 -0.422 . . . . 53.24 109.998 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.17 128.6 51.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 N-CA-C 109.475 -0.565 . . . . 71.22 109.475 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.2 t -87.98 119.72 28.62 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 115.757 -0.656 . . . . 71.14 111.131 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.75 -18.29 58.56 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 123.678 0.791 . . . . 64.3 110.598 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -90.22 -8.06 52.02 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 120.879 0.371 . . . . 73.22 111.47 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.37 -106.38 2.29 Favored Glycine 0 N--CA 1.44 -1.079 0 C-N-CA 120.755 -0.736 . . . . 54.14 111.267 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 100' ' ' ILE . 31.8 ttt180 -152.49 160.17 43.27 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 105.771 -1.937 . . . . 70.35 105.771 178.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.415 ' N ' ' HG2' ' A' ' 99' ' ' ARG . 52.5 mt -65.78 123.76 85.66 Favored Pre-proline 0 N--CA 1.435 -1.209 0 N-CA-C 106.616 -1.624 . . . . 65.34 106.616 172.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -59.24 132.29 45.9 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.02 1.813 . . . . 73.11 111.544 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.69 -30.63 65.64 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 123.817 0.847 . . . . 72.44 110.392 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.14 -40.3 95.47 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.704 1.202 . . . . 73.33 110.516 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.33 -41.28 50.41 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 108.899 -0.778 . . . . 71.44 108.899 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.403 -0.817 . . . . 74.52 109.737 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.19 -46.01 82.49 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.094 -0.957 . . . . 61.1 109.639 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.25 86.41 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.057 -0.974 . . . . 70.31 110.261 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 112' ' ' THR . 73.3 t80 -59.35 -56.37 22.93 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 123.542 0.737 . . . . 72.43 110.198 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.59 -24.29 67.04 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 112.335 0.495 . . . . 72.12 112.335 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.35 24.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.975 -0.557 . . . . 50.33 110.644 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.74 51.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.912 1.079 . . . . 73.42 113.912 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 108' ' ' TYR . 15.0 t . . . . . 0 N--CA 1.424 -1.761 0 C-N-CA 119.147 -1.021 . . . . 65.32 111.064 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 ttt . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.717 0.294 . . . . 61.42 111.364 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 m -132.28 104.28 6.67 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 109.036 -0.727 . . . . 62.04 109.036 -174.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.13 -61.52 4.68 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.775 -0.93 . . . . 71.31 110.775 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.7 m -92.05 150.98 20.67 Favored 'General case' 0 N--CA 1.424 -1.764 0 N-CA-C 109.388 -0.597 . . . . 72.14 109.388 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.63 60.93 2.38 Favored Glycine 0 N--CA 1.435 -1.399 0 N-CA-C 111.561 -0.616 . . . . 42.32 111.561 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -83.85 -27.33 28.78 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.045 0.45 . . . . 72.14 111.771 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.05 70.5 0.29 Allowed Glycine 0 N--CA 1.423 -2.173 0 C-N-CA 119.801 -1.19 . . . . 74.43 112.606 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -75.85 83.34 2.78 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.88 -66.46 3.9 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.424 -1.07 . . . . 72.32 110.424 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.7 -174.38 4.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.732 -0.84 . . . . 70.14 108.732 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 77' ' ' ARG . 4.4 mp -82.02 139.76 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.834 0 N-CA-C 108.223 -1.028 . . . . 75.22 108.223 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.39 -31.76 71.35 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.563 0.697 . . . . 73.3 111.423 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.517 ' H ' HG22 ' A' ' 75' ' ' ILE . 10.4 mmt85 -113.03 172.62 6.83 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.213 -0.903 . . . . 72.44 109.694 -176.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -73.18 146.1 45.83 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 105.696 -1.964 . . . . 71.15 105.696 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.536 ' O ' HG13 ' A' ' 83' ' ' ILE . 9.7 mm-40 -55.46 -46.96 76.78 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 113.387 0.884 . . . . 75.22 113.387 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -58.87 -41.63 87.56 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.944 0.402 . . . . 54.32 111.288 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.8 -43.79 74.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.221 -0.445 . . . . 64.12 109.811 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . . . -60.5 -45.91 92.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.481 -0.781 . . . . 41.52 110.875 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 79' ' ' GLN . 72.6 mt -64.25 -42.1 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 O-C-N 123.364 0.415 . . . . 63.32 110.347 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -60.8 -46.74 89.33 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.955 0.407 . . . . 74.34 111.049 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 43.4 mt-10 -65.16 -42.52 93.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.989 -0.55 . . . . 63.41 111.458 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.44 -42.9 97.06 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.924 -0.769 . . . . 71.42 108.924 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.37 -52.17 66.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.436 -0.802 . . . . 74.04 110.045 177.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -60.24 -40.81 91.54 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.616 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 82.4 mtt180 -69.65 -26.63 64.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.795 0.665 . . . . 74.44 112.795 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -89.63 -29.52 18.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.315 -0.402 . . . . 73.51 111.529 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.25 24.95 4.28 Favored Glycine 0 C--N 1.314 -0.683 0 C-N-CA 120.67 -0.776 . . . . 75.44 113.043 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.407 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 66.7 m-70 -99.5 124.38 44.61 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 107.315 -1.365 . . . . 74.02 107.315 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -89.7 93.07 9.32 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 122.004 0.906 . . . . 75.32 112.284 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.0 t -95.13 129.82 44.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 CA-C-N 114.427 -1.261 . . . . 71.01 108.256 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -93.46 160.25 14.88 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.029 -0.73 . . . . 51.24 109.029 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 p -89.97 4.52 49.86 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 121.492 0.663 . . . . 74.31 110.302 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -105.98 100.45 9.99 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-N 115.464 -0.789 . . . . 74.33 110.56 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.93 -113.4 1.95 Allowed Glycine 0 N--CA 1.419 -2.455 0 CA-C-N 114.971 -1.013 . . . . 72.35 110.646 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -143.14 174.78 10.4 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.852 -0.796 . . . . 73.55 108.852 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.9 mt -87.07 127.98 57.42 Favored Pre-proline 0 N--CA 1.425 -1.717 0 N-CA-C 105.645 -1.983 . . . . 72.12 105.645 172.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -60.15 128.6 26.95 Favored 'Trans proline' 0 C--O 1.245 0.867 0 C-N-CA 122.597 2.198 . . . . 54.01 112.023 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.0 -27.19 65.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 53.55 111.849 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.63 -40.69 95.93 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.588 -0.523 . . . . 72.4 109.588 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.78 -39.22 68.01 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.776 -0.824 . . . . 74.22 108.776 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.58 -41.88 91.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.847 -0.615 . . . . 51.14 110.258 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.12 -46.23 74.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.894 -0.594 . . . . 72.13 110.084 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.93 91.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.399 -0.819 . . . . 73.15 110.18 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.422 ' CG ' HG12 ' A' ' 83' ' ' ILE . 58.5 t80 -54.64 -59.0 5.3 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 115.634 -0.712 . . . . 73.04 109.989 176.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -69.13 -17.29 63.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.546 0.573 . . . . 75.34 112.546 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.03 31.53 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 122.294 -0.254 . . . . 55.42 110.866 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.9 -42.59 9.96 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 122.419 1.104 . . . . 74.14 108.532 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 46.5 m . . . . . 1 N--CA 1.378 -4.062 0 CA-C-N 112.869 -1.969 . . . . 70.25 109.227 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 CA--C 1.518 -0.272 0 N-CA-C 108.466 -0.939 . . . . 74.34 108.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.2 m -69.29 114.79 7.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.02 0.438 . . . . 62.11 111.466 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.98 41.54 0.04 OUTLIER Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.409 -0.814 . . . . 61.2 111.468 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 m -106.62 158.04 17.24 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.277 -0.638 . . . . 72.35 109.277 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.1 56.3 4.96 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 121.531 -0.366 . . . . 71.12 113.535 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -134.4 18.41 3.66 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.617 -0.883 . . . . 71.51 108.617 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.03 113.17 3.61 Favored Glycine 0 N--CA 1.438 -1.19 0 CA-C-N 115.396 -0.82 . . . . 54.2 112.889 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 72' ' ' ARG . 36.1 mmt180 -122.04 83.82 2.16 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 122.147 0.975 . . . . 73.45 109.179 174.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.58 103.95 0.58 Allowed Glycine 0 C--N 1.28 -2.55 0 N-CA-C 107.993 -2.043 . . . . 51.11 107.993 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.44 149.22 43.27 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.774 0.797 . . . . 54.11 111.723 -176.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.5 mt -81.09 93.88 2.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 114.438 -1.256 . . . . 72.22 107.76 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -64.44 -51.41 63.28 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.626 -1.624 . . . . 73.33 110.454 -175.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -115.32 139.4 50.01 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.491 -1.67 . . . . 65.23 106.491 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.73 140.22 24.35 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 124.152 0.908 . . . . 73.21 111.923 -175.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.518 ' O ' HG13 ' A' ' 83' ' ' ILE . 54.7 mt-30 -61.55 -32.92 73.01 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 109.11 -0.7 . . . . 70.52 109.11 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 7.3 m -58.1 -47.18 84.02 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.568 -0.742 . . . . 70.22 110.315 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.28 77.96 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.724 -0.473 . . . . 62.14 109.724 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.79 91.43 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.722 -0.672 . . . . 72.22 111.198 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 79' ' ' GLN . 71.8 mt -66.31 -44.38 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 N-CA-C 109.919 -0.4 . . . . 74.34 109.919 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HG2' HG11 ' A' ' 94' ' ' VAL . 52.1 mtt180 -62.26 -40.95 97.9 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.265 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.6 mt-10 -66.34 -39.68 89.35 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.832 0.678 . . . . 74.32 112.832 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -63.81 -43.0 97.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.167 -1.049 . . . . 74.21 108.167 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.52 -45.35 85.11 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.559 -1.201 . . . . 62.21 110.574 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -69.7 -30.6 68.27 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.287 -0.415 . . . . 73.22 112.073 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.9 mmt-85 -69.82 -38.63 76.64 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.226 -0.59 . . . . 71.13 109.665 176.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -89.42 -12.36 40.46 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 113.458 0.91 . . . . 75.02 113.458 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.11 35.01 6.87 Favored Glycine 0 C--N 1.313 -0.737 0 C-N-CA 120.862 -0.685 . . . . 51.23 114.284 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.492 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 39.9 m-70 -94.58 145.92 24.48 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 117.321 0.56 . . . . 73.54 109.669 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -88.13 94.39 9.8 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.958 -0.565 . . . . 73.44 109.593 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.419 HG11 ' HG2' ' A' ' 84' ' ' ARG . 84.2 t -106.79 124.41 62.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 116.056 -0.52 . . . . 55.41 110.187 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 t -65.27 132.21 48.48 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 115.538 -0.756 . . . . 53.41 109.598 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.6 p -78.17 -35.53 48.63 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 108.728 -0.842 . . . . 71.42 108.728 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -87.35 110.29 20.14 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.745 -1.116 . . . . 73.33 108.972 176.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.11 -157.47 14.92 Favored Glycine 0 C--N 1.289 -2.043 0 C-N-CA 120.342 -0.932 . . . . 73.22 111.92 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -91.91 172.68 8.29 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.469 0.652 . . . . 70.45 111.88 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt -90.81 133.8 31.67 Favored Pre-proline 0 C--N 1.303 -1.43 0 N-CA-C 107.365 -1.346 . . . . 71.43 107.365 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.07 128.54 30.63 Favored 'Trans proline' 0 C--O 1.261 1.626 0 C-N-CA 122.118 1.879 . . . . 70.42 111.492 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.55 -28.26 44.48 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.712 0.805 . . . . 74.43 112.219 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.31 -37.17 77.65 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 120.523 0.201 . . . . 55.44 110.808 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.3 t -70.73 -38.79 74.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 N-CA-C 108.427 -0.953 . . . . 65.41 108.427 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.77 -40.31 88.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.199 -0.909 . . . . 54.53 109.825 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.33 -47.53 76.19 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 115.497 -0.774 . . . . 65.4 109.541 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.39 93.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.04 -0.982 . . . . 65.31 110.807 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 83' ' ' ILE . 92.4 t80 -59.73 -53.29 59.68 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 123.074 0.55 . . . . 74.53 110.086 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -72.55 -13.89 61.51 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.8 0.667 . . . . 72.03 112.8 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.89 -50.5 11.11 Favored 'General case' 0 N--CA 1.433 -1.293 0 N-CA-C 108.68 -0.859 . . . . 72.24 108.68 172.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.87 64.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.337 -0.847 . . . . 53.43 111.94 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.421 -1.918 0 CA-C-O 117.689 -1.148 . . . . 74.34 110.195 -178.12 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 C--O 1.243 0.734 0 CA-C-O 121.242 0.544 . . . . 54.34 109.606 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 m -139.25 160.27 40.21 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.231 -0.895 . . . . 73.11 108.955 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.87 -124.08 7.38 Favored Glycine 0 N--CA 1.439 -1.141 0 C-N-CA 121.275 -0.488 . . . . 51.43 112.578 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 m -65.58 -43.08 90.89 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.379 0.609 . . . . 71.53 109.863 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.43 102.86 2.24 Favored Glycine 0 N--CA 1.417 -2.597 0 CA-C-N 115.28 -0.873 . . . . 74.13 111.426 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -120.63 138.47 53.9 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 106.924 -1.51 . . . . 74.51 106.924 174.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.56 113.63 3.88 Favored Glycine 0 N--CA 1.422 -2.293 0 N-CA-C 110.721 -0.952 . . . . 73.23 110.721 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -73.9 -39.18 64.06 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.643 -0.873 . . . . 62.53 108.643 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.21 -79.56 0.03 OUTLIER Glycine 0 N--CA 1.428 -1.899 0 CA-C-N 114.988 -1.006 . . . . 73.23 110.828 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.79 164.08 13.13 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.123 0.487 . . . . 63.12 110.826 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.425 ' HB ' ' HG2' ' A' ' 79' ' ' GLN . 76.4 mt -80.45 131.1 34.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 115.15 -0.932 . . . . 74.45 109.158 -177.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.478 ' OD1' ' HG3' ' A' ' 77' ' ' ARG . 19.5 t70 -83.52 -60.21 2.2 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.96 -0.564 . . . . 60.04 110.77 -173.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.478 ' HG3' ' OD1' ' A' ' 76' ' ' ASP . 72.2 mtt180 -117.32 148.82 41.37 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 120.954 0.407 . . . . 72.35 111.926 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 59.25 52.34 6.13 Favored 'General case' 0 C--O 1.254 1.322 0 C-N-CA 125.252 1.421 . . . . 72.21 114.339 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.596 ' O ' HG13 ' A' ' 83' ' ' ILE . 71.8 mt-30 -61.14 -34.04 74.36 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.826 -0.624 . . . . 72.1 110.757 175.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 11.5 m -59.18 -45.95 89.68 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 123.314 0.384 . . . . 65.34 110.087 177.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.12 99.02 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.646 -0.502 . . . . 62.42 109.646 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.81 81.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.748 -0.66 . . . . 41.24 111.339 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 79' ' ' GLN . 71.3 mt -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.792 -0.447 . . . . 74.52 109.792 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 80' ' ' SER . 55.6 mtp180 -62.72 -44.09 97.12 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.777 -0.647 . . . . 75.25 110.28 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 69.3 mm-40 -59.43 -49.55 77.36 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.107 -0.951 . . . . 71.02 110.338 175.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.6 -43.23 84.52 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.652 0.781 . . . . 75.51 109.599 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -54.04 50.6 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.147 -0.933 . . . . 73.12 110.641 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -60.12 -38.17 82.22 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.995 -0.548 . . . . 74.41 111.839 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 72.6 mtt180 -71.57 -27.67 63.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.12 -0.491 . . . . 70.45 112.116 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.95 -15.19 25.17 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.609 0.596 . . . . 73.21 112.609 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 23.05 10.89 Favored Glycine 0 C--N 1.309 -0.947 0 C-N-CA 120.609 -0.805 . . . . 54.23 113.21 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -91.95 129.7 37.86 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 107.52 -1.289 . . . . 72.43 107.52 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -81.15 88.05 6.03 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 122.125 0.964 . . . . 54.14 112.891 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.31 131.82 69.98 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 105.514 -2.032 . . . . 72.24 105.514 172.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.4 t -85.4 148.21 26.12 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-O 121.285 0.564 . . . . 72.54 110.524 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.2 p -74.37 -12.19 60.45 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 115.379 -0.828 . . . . 63.45 109.405 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -110.83 8.99 22.52 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.16 -0.927 . . . . 63.02 109.463 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.49 169.7 15.73 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.825 -0.702 . . . . 60.24 111.725 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -89.31 161.6 16.28 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.899 -0.778 . . . . 72.32 108.899 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.94 128.76 59.07 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 111.278 0.103 . . . . 74.5 111.278 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -73.91 141.39 30.06 Favored 'Trans proline' 0 C--O 1.261 1.641 0 C-N-CA 122.295 1.997 . . . . 73.02 110.622 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.07 -29.51 63.52 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 123.621 0.768 . . . . 62.13 111.764 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.49 -40.36 94.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.116 0.484 . . . . 74.34 110.563 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.83 -35.76 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-N 115.777 -0.647 . . . . 53.11 109.601 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.74 -40.68 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.588 0.709 . . . . 73.33 109.5 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.19 -51.62 62.9 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.031 -0.986 . . . . 75.23 110.425 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.59 95.37 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.215 -0.902 . . . . 44.4 110.255 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.416 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.2 t80 -53.9 -54.49 38.04 Favored 'General case' 0 C--O 1.196 -1.724 0 CA-C-N 115.713 -0.676 . . . . 62.13 110.408 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.98 -22.22 62.21 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.954 0.724 . . . . 74.51 112.954 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.29 49.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.427 -0.351 . . . . 63.21 110.938 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.77 -41.78 5.81 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 122.236 1.017 . . . . 73.33 110.025 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.4 m . . . . . 0 N--CA 1.387 -3.599 0 CA-C-N 113.554 -1.657 . . . . 54.31 110.141 -172.593 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.639 0.257 . . . . 74.2 110.706 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -119.18 101.17 7.8 Favored 'General case' 0 N--CA 1.41 -2.436 0 CA-C-O 121.237 0.541 . . . . 51.31 109.57 -175.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.33 85.63 0.39 Allowed Glycine 0 N--CA 1.421 -2.302 0 N-CA-C 109.954 -1.258 . . . . 64.4 109.954 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.6 m -147.07 3.46 0.8 Allowed 'General case' 0 C--N 1.304 -1.37 0 O-C-N 122.552 -0.381 . . . . 71.15 110.927 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.21 98.16 1.14 Allowed Glycine 0 N--CA 1.434 -1.486 0 CA-C-N 115.947 -0.569 . . . . 74.33 111.802 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -111.92 -61.66 1.68 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.9 0.35 . . . . 74.25 110.354 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.42 -36.96 89.79 Favored Glycine 0 CA--C 1.507 -0.454 0 N-CA-C 111.312 -0.715 . . . . 72.4 111.312 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -143.17 -176.2 4.83 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 106.825 -1.546 . . . . 75.12 106.825 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.66 44.12 2.26 Favored Glycine 0 C--N 1.306 -1.107 0 N-CA-C 109.277 -1.529 . . . . 63.25 109.277 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.01 164.04 12.28 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 123.349 0.66 . . . . 74.31 109.515 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.0 mt -92.63 139.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 108.571 -0.9 . . . . 72.33 108.571 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.3 -46.57 89.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.267 0.556 . . . . 61.54 110.482 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.16 -178.43 3.74 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.817 -0.629 . . . . 74.54 109.311 175.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 154.65 41.08 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 120.784 0.326 . . . . 71.31 111.412 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.474 ' O ' HG13 ' A' ' 83' ' ' ILE . 74.0 mt-30 -57.69 -47.6 81.9 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.634 -1.247 . . . . 63.15 107.634 174.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 m -59.02 -41.04 86.82 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 114.034 -1.439 . . . . 72.44 110.435 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.41 84.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.971 -0.558 . . . . 61.2 110.548 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.73 92.22 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.921 -0.581 . . . . 74.32 110.819 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 79' ' ' GLN . 72.9 mt -66.19 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.424 -0.584 . . . . 73.24 109.424 177.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -63.75 -38.54 91.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 63.14 111.36 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 45.4 mt-10 -63.19 -45.34 92.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.373 -0.376 . . . . 65.4 110.595 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.01 -44.31 97.6 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.839 -0.8 . . . . 71.11 108.839 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -55.69 -51.04 68.63 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.175 -0.921 . . . . 72.44 109.701 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' NH2' ' HG2' ' A' ' 85' ' ' GLU . 49.6 mtm180 -61.35 -38.78 88.16 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.925 -0.58 . . . . 73.3 112.418 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 16.2 mmt180 -66.64 -38.41 86.83 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.895 0.378 . . . . 73.52 110.897 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -90.73 -9.31 47.14 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 113.065 0.765 . . . . 74.41 113.065 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.33 30.93 8.75 Favored Glycine 0 C--N 1.312 -0.77 0 C-N-CA 120.646 -0.788 . . . . 40.45 113.261 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.454 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 63.3 m-70 -99.14 121.87 41.6 Favored 'General case' 0 N--CA 1.428 -1.538 0 N-CA-C 107.193 -1.41 . . . . 73.31 107.193 176.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -81.9 79.62 8.39 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 121.498 0.666 . . . . 64.3 110.979 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.0 t -102.63 94.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 115.231 -0.895 . . . . 74.13 109.021 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.4 t 175.79 -19.35 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.305 1.042 . . . . 45.33 109.102 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 p -64.0 -33.33 75.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.505 0.669 . . . . 72.45 111.188 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -131.43 129.98 41.94 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.745 -1.946 . . . . 64.41 105.745 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.23 43.48 0.54 Allowed Glycine 0 CA--C 1.531 1.08 0 N-CA-C 118.498 2.159 . . . . 74.33 118.498 -167.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -151.83 160.11 43.66 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 123.511 0.724 . . . . 43.32 109.096 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt -91.42 122.19 66.37 Favored Pre-proline 0 C--N 1.298 -1.663 0 N-CA-C 109.216 -0.661 . . . . 73.32 109.216 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -64.37 134.04 40.13 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.529 2.153 . . . . 73.24 111.574 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.4 -27.65 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.341 0.657 . . . . 75.24 111.002 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.56 -41.52 98.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.954 -0.566 . . . . 73.43 110.539 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.5 t -74.73 -36.95 41.76 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 N-CA-C 109.357 -0.609 . . . . 71.3 109.357 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 77.8 mt -64.02 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.943 -0.572 . . . . 63.34 110.172 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.1 -40.19 71.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.983 -0.553 . . . . 73.11 110.154 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.41 96.05 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-N 115.992 -0.549 . . . . 45.12 109.845 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 70.2 t80 -53.96 -57.29 11.56 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.959 -1.018 . . . . 70.21 109.474 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -67.31 -22.57 65.61 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.339 0.866 . . . . 61.33 113.339 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.91 -20.97 34.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.736 -0.211 . . . . 32.44 111.424 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.2 -40.23 7.67 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.569 1.176 . . . . 42.21 109.503 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 1 N--CA 1.374 -4.237 0 CA-C-N 113.105 -1.862 . . . . 71.52 110.091 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 C--O 1.238 0.483 0 CA-C-O 119.695 -0.193 . . . . 72.41 111.514 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.5 m 63.29 179.96 0.15 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.966 0.906 . . . . 43.13 111.538 -176.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.15 47.68 0.25 Allowed Glycine 0 C--N 1.312 -0.795 0 C-N-CA 120.099 -1.048 . . . . 63.44 111.48 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m -86.65 -10.69 53.27 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 120.95 0.405 . . . . 64.23 111.522 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -86.0 73.35 2.56 Favored Glycine 0 N--CA 1.432 -1.61 0 N-CA-C 110.448 -1.061 . . . . 63.04 110.448 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -83.14 107.69 15.88 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.421 0.629 . . . . 63.52 111.76 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.36 110.82 1.93 Allowed Glycine 0 N--CA 1.426 -2.013 0 N-CA-C 107.194 -2.362 . . . . 24.41 107.194 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -114.19 -53.86 2.63 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 120.17 -0.612 . . . . 73.41 111.308 -173.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 107.56 -45.97 1.23 Allowed Glycine 0 C--N 1.307 -1.046 0 N-CA-C 108.911 -1.675 . . . . 70.11 108.911 -173.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.17 168.65 15.58 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.608 -0.886 . . . . 21.42 108.608 173.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.6 mt -104.65 116.47 48.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.013 0 CA-C-O 121.564 0.697 . . . . 72.35 111.386 -174.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -114.52 -46.28 2.97 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 114.466 -1.243 . . . . 71.35 107.683 175.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -106.72 168.58 9.08 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.153 -1.425 . . . . 73.4 107.153 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -71.05 141.37 50.91 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 120.75 -0.38 . . . . 73.13 111.278 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.516 ' O ' HG13 ' A' ' 83' ' ' ILE . 57.5 mt-30 -64.4 -38.09 89.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.94 -0.763 . . . . 75.3 108.94 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -62.67 -39.09 92.82 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.938 -0.574 . . . . 75.35 109.869 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -64.72 -46.11 83.69 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.712 -0.676 . . . . 62.42 109.485 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.76 89.56 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 123.782 0.676 . . . . 73.55 111.145 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.1 mt -62.56 -42.58 96.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 110.202 -0.296 . . . . 74.34 110.202 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -60.77 -46.02 92.08 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.023 0.439 . . . . 73.02 110.861 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 8.9 mm-40 -60.87 -48.98 79.32 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.16 -0.927 . . . . 73.44 110.014 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -60.0 -43.59 95.09 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.17 0.588 . . . . 73.53 109.64 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.07 81.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.658 -0.701 . . . . 61.1 110.421 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -74.66 -24.63 58.84 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.291 0.848 . . . . 64.12 113.291 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.4 mmt180 -71.76 -37.57 70.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.089 -0.708 . . . . 61.54 109.089 174.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -89.85 -21.4 22.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.833 1.049 . . . . 65.21 113.833 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.08 24.6 6.49 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.912 -1.137 . . . . 64.11 113.652 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -94.16 143.8 26.06 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 107.459 -1.312 . . . . 70.34 107.459 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -93.43 113.34 25.47 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.063 0.459 . . . . 72.22 110.117 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.0 t -86.08 144.66 9.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 106.87 -1.53 . . . . 44.41 106.87 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.553 ' HB3' ' O ' ' A' ' 99' ' ' ARG . 45.3 t -65.14 127.22 30.75 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-O 121.36 0.6 . . . . 70.4 111.649 -176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -6.84 50.11 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.004 0.921 . . . . 63.12 109.896 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -77.97 -15.97 58.53 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.278 -0.874 . . . . 64.12 109.284 175.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.24 37.37 4.36 Favored Glycine 0 N--CA 1.433 -1.529 0 C-N-CA 120.708 -0.758 . . . . 71.51 111.987 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 95' ' ' SER . 62.2 ttt180 -130.63 133.92 46.54 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.456 -0.942 . . . . 72.01 108.456 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.1 mt -91.91 122.83 64.63 Favored Pre-proline 0 C--N 1.285 -2.227 0 N-CA-C 107.919 -1.141 . . . . 63.54 107.919 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -63.39 130.94 30.02 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 121.758 1.638 . . . . 71.14 111.08 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.36 66.95 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.373 0.669 . . . . 65.44 110.492 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.45 -41.95 90.87 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.515 -0.766 . . . . 65.23 109.583 175.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.77 -38.51 44.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-N 115.589 -0.732 . . . . 65.04 109.279 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.77 -42.57 92.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 CA-C-N 116.039 -0.528 . . . . 73.32 110.162 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.63 -47.81 71.43 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 115.926 -0.579 . . . . 50.13 109.685 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.85 82.12 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.171 0.919 . . . . 54.03 110.555 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -54.54 -59.39 4.77 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 123.695 0.798 . . . . 74.15 110.335 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -67.29 -19.7 65.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.513 0.931 . . . . 63.23 113.513 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.72 -27.35 29.02 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.446 -0.343 . . . . 53.12 111.361 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.99 -29.19 13.43 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 122.207 1.003 . . . . 65.22 109.892 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.384 -3.729 0 CA-C-N 113.748 -1.569 . . . . 65.53 109.48 -172.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 109.837 -0.431 . . . . 50.2 109.837 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.7 t -84.32 83.73 7.88 Favored 'General case' 0 N--CA 1.432 -1.325 0 N-CA-C 108.488 -0.93 . . . . 64.24 108.488 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.96 -7.68 67.98 Favored Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.812 -0.915 . . . . 72.12 110.812 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.7 m -131.03 157.43 43.05 Favored 'General case' 0 N--CA 1.42 -1.974 0 N-CA-C 107.693 -1.225 . . . . 73.02 107.693 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.09 76.49 0.11 Allowed Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.28 -0.962 . . . . 73.13 112.122 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -59.53 107.27 0.56 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.583 0.706 . . . . 74.53 109.605 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.52 -31.8 1.51 Allowed Glycine 0 C--N 1.292 -1.903 0 N-CA-C 107.596 -2.202 . . . . 75.22 107.596 -174.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -93.59 98.26 11.04 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 114.517 -0.842 . . . . 71.41 109.208 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -144.42 32.44 1.75 Allowed Glycine 0 N--CA 1.434 -1.457 0 N-CA-C 110.52 -1.032 . . . . 72.25 110.52 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.88 -178.88 3.78 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.011 -0.737 . . . . 74.13 109.011 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 77' ' ' ARG . 15.3 mt -89.46 81.68 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-O 122.688 1.232 . . . . 54.23 108.802 -174.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.8 -29.7 67.06 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 113.279 -1.782 . . . . 64.45 111.462 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 75' ' ' ILE . 99.1 mtt180 -125.11 -165.62 1.43 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.914 -1.143 . . . . 72.43 107.914 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -76.67 150.59 36.35 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.379 -0.971 . . . . 63.32 108.379 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.552 ' O ' HG13 ' A' ' 83' ' ' ILE . 14.8 mm-40 -68.88 -36.96 78.7 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.285 -0.635 . . . . 71.04 109.285 176.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -61.97 -39.31 91.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.277 -0.874 . . . . 71.32 109.669 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . -66.87 -39.44 87.54 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 109.267 -0.642 . . . . 74.0 109.267 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.94 97.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.915 -0.584 . . . . 74.02 110.687 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.5 mt -60.37 -44.2 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.312 -0.625 . . . . 75.33 109.312 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.69 -45.11 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.348 -0.842 . . . . 73.12 111.782 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 34.6 mt-10 -69.43 -37.41 77.41 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.023 -0.535 . . . . 70.24 111.366 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -64.0 -42.79 97.05 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 108.53 -0.915 . . . . 74.21 108.53 176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.34 -49.55 75.8 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.596 -1.184 . . . . 73.42 110.629 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -69.59 -27.31 65.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.825 0.676 . . . . 64.54 112.825 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -70.93 -33.63 70.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.229 0.538 . . . . 75.11 111.359 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -88.65 -17.2 30.54 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.602 0.593 . . . . 72.13 112.602 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 12.43 33.91 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.907 -0.664 . . . . 70.22 113.695 175.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.446 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 75.8 m-70 -73.02 147.04 45.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 117.086 0.443 . . . . 54.04 109.859 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -91.75 88.04 6.52 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.835 -0.802 . . . . 63.4 108.835 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.3 t -109.16 112.4 40.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 CA-C-N 115.89 -0.596 . . . . 63.53 109.661 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.2 t -75.56 139.42 42.11 Favored 'General case' 0 N--CA 1.409 -2.481 0 N-CA-C 108.759 -0.83 . . . . 33.43 108.759 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 p -78.85 -11.78 60.0 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-O 121.73 0.776 . . . . 71.31 109.891 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -96.53 120.71 37.34 Favored 'General case' 0 N--CA 1.422 -1.856 0 N-CA-C 107.663 -1.236 . . . . 73.02 107.663 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.444 ' C ' ' HD2' ' A' ' 99' ' ' ARG . . . 102.51 -136.54 12.88 Favored Glycine 0 N--CA 1.425 -2.044 0 N-CA-C 110.714 -0.954 . . . . 50.2 110.714 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.444 ' HD2' ' C ' ' A' ' 98' ' ' GLY . 3.9 mpt_? -123.86 166.82 14.99 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.811 0.305 . . . . 65.31 110.538 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.77 132.55 54.22 Favored Pre-proline 0 C--N 1.312 -1.024 0 N-CA-C 109.16 -0.681 . . . . 75.14 109.16 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.62 134.4 47.37 Favored 'Trans proline' 0 C--O 1.253 1.257 0 C-N-CA 122.4 2.066 . . . . 62.34 112.084 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.25 68.66 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.642 0.777 . . . . 61.14 110.529 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.19 -38.23 85.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 116.208 -0.451 . . . . 62.24 110.688 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.58 -39.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.249 -0.649 . . . . 64.33 109.249 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.78 -45.55 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.833 -0.621 . . . . 72.14 110.3 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 115.888 -0.596 . . . . 61.5 110.086 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.37 91.12 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.315 -0.857 . . . . 74.24 110.149 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.51 ' O ' HG22 ' A' ' 112' ' ' THR . 86.6 t80 -58.29 -56.34 23.29 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.468 0.707 . . . . 72.35 110.44 177.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -67.08 -19.05 65.59 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 113.011 0.745 . . . . 71.43 113.011 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.15 -41.7 13.57 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.752 0.311 . . . . 50.53 111.166 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.62 -46.26 22.64 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 113.507 0.929 . . . . 44.31 113.507 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 108' ' ' TYR . 10.5 t . . . . . 0 N--CA 1.429 -1.504 0 C-N-CA 120.002 -0.679 . . . . 74.25 109.346 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.507 -0.706 0 N-CA-C 108.429 -0.952 . . . . 62.43 108.429 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.1 m -150.0 110.58 4.25 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.067 0.46 . . . . 74.41 110.691 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -104.64 119.46 6.25 Favored Glycine 0 N--CA 1.426 -2.024 0 N-CA-C 109.957 -1.257 . . . . 54.4 109.957 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.0 p -146.06 -75.5 0.21 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 109.222 -0.659 . . . . 41.42 109.222 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.57 115.25 0.57 Allowed Glycine 0 N--CA 1.41 -3.096 0 CA-C-N 115.537 -0.756 . . . . 65.14 111.655 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -102.92 144.3 31.39 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.116 -1.438 . . . . 50.31 107.116 176.738 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.87 -83.76 0.05 OUTLIER Glycine 0 CA--C 1.492 -1.377 0 C-N-CA 119.895 -1.145 . . . . 75.02 112.967 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 72' ' ' ARG . 35.1 mmt180 72.56 117.07 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 124.205 1.002 . . . . 75.13 113.598 -176.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.43 -51.95 4.47 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.948 -1.024 . . . . 54.44 114.189 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.47 168.86 8.88 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.476 0.655 . . . . 65.13 111.314 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 60.5 mt -99.02 141.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-N 114.975 -1.011 . . . . 70.02 108.492 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.48 -46.83 81.36 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 123.976 0.797 . . . . 62.31 111.977 -176.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -131.22 -156.39 0.75 Allowed 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.343 -0.614 . . . . 74.04 109.343 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -56.35 145.77 26.17 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.663 0.785 . . . . 64.2 110.218 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.459 ' O ' HG13 ' A' ' 83' ' ' ILE . 49.5 mt-30 -54.86 -60.02 3.94 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 123.805 0.691 . . . . 71.25 111.163 -178.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 m -61.31 -37.44 83.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.785 -0.643 . . . . 64.2 111.37 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.2 85.67 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.375 -0.375 . . . . 73.43 110.404 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.17 85.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.033 -0.53 . . . . 70.14 111.287 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.4 mt -65.26 -43.07 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 109.399 -0.593 . . . . 72.21 109.399 177.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 34.8 mtp180 -62.08 -48.07 81.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.358 -0.837 . . . . 75.23 111.382 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -72.84 -28.3 62.45 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.849 -0.614 . . . . 72.34 112.229 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.9 -40.91 95.83 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 107.896 -1.15 . . . . 63.43 107.896 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -59.58 -43.76 93.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.976 -1.011 . . . . 55.32 109.754 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 1.1 mmp_? -62.22 -45.3 93.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.37 -0.377 . . . . 61.14 110.365 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -59.9 -35.58 75.17 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.66 0.743 . . . . 74.14 110.541 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -95.29 -9.49 32.93 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 114.128 1.158 . . . . 55.22 114.128 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.55 35.37 10.51 Favored Glycine 0 C--N 1.312 -0.773 0 C-N-CA 119.982 -1.104 . . . . 72.35 112.54 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.479 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 92.9 m-70 -99.24 159.89 14.67 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.933 -0.766 . . . . 72.54 108.933 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -113.7 107.26 15.52 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.462 0.649 . . . . 53.55 111.49 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.22 130.37 71.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.94 -1.133 . . . . 60.15 107.94 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.6 t -73.79 137.06 43.66 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 123.392 0.433 . . . . 64.43 110.04 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 p -89.98 -6.29 55.8 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-O 121.424 0.63 . . . . 64.2 109.796 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -86.01 -52.56 5.62 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.263 -0.643 . . . . 75.13 109.263 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.84 -145.43 11.44 Favored Glycine 0 N--CA 1.434 -1.469 0 CA-C-N 115.415 -0.812 . . . . 60.22 112.013 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -99.72 -178.53 3.9 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.702 -0.481 . . . . 72.33 109.702 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -90.58 125.87 58.06 Favored Pre-proline 0 N--CA 1.422 -1.873 0 N-CA-C 107.691 -1.225 . . . . 74.51 107.691 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -59.46 134.33 57.7 Favored 'Trans proline' 0 C--O 1.252 1.19 0 C-N-CA 122.238 1.959 . . . . 64.42 111.059 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.44 62.57 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 115.672 -0.694 . . . . 61.4 110.969 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -61.61 -39.9 92.91 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.475 -0.329 . . . . 72.24 110.447 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.9 t -75.71 -39.84 39.46 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 N-CA-C 109.369 -0.604 . . . . 53.42 109.369 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.81 -43.4 97.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.385 0.612 . . . . 75.11 109.904 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.33 -45.7 79.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.381 -0.827 . . . . 73.21 110.033 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.67 91.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.286 -0.87 . . . . 74.51 110.479 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.72 -57.22 13.71 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 123.917 0.887 . . . . 71.21 110.023 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -66.12 -23.64 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.159 0.429 . . . . 64.0 112.159 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.19 -30.93 43.66 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 122.328 -0.232 . . . . 61.44 110.893 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.72 -51.07 6.69 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.454 0.538 . . . . 41.42 112.454 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.256 1.407 0 N-CA-C 109.106 -0.702 . . . . 63.14 109.106 -178.559 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.8 mtt . . . . . 0 CA--C 1.5 -0.964 0 CA-C-O 121.188 0.518 . . . . 63.32 110.204 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.3 m -150.54 145.46 25.97 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.188 -1.412 . . . . 62.03 107.188 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.43 77.99 1.96 Allowed Glycine 0 N--CA 1.432 -1.581 0 C-N-CA 120.452 -0.88 . . . . 62.02 111.225 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.0 p -60.56 -57.32 13.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.557 0.694 . . . . 71.42 110.014 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -162.07 137.71 5.01 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 108.69 -1.764 . . . . 54.14 108.69 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -84.24 -68.27 0.73 Allowed 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.175 0.512 . . . . 75.12 109.743 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.18 -155.57 49.21 Favored Glycine 0 N--CA 1.43 -1.702 0 N-CA-C 110.871 -0.891 . . . . 75.22 110.871 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -89.12 -31.91 17.77 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 106.889 -1.523 . . . . 72.12 106.889 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.45 -131.36 10.62 Favored Glycine 0 N--CA 1.413 -2.897 0 N-CA-C 108.302 -1.919 . . . . 63.53 108.302 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.27 158.48 44.12 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 107.634 -1.247 . . . . 64.22 107.634 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.6 mt -83.87 94.55 3.51 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 N-CA-C 107.187 -1.412 . . . . 71.13 107.187 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.6 -45.94 9.98 Favored 'General case' 0 C--N 1.279 -2.493 0 CA-C-N 114.272 -1.331 . . . . 71.5 110.173 -175.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -94.94 177.33 5.93 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.049 -1.093 . . . . 74.33 108.049 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.18 151.0 28.21 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 110.146 -0.316 . . . . 73.43 110.146 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.578 ' O ' HG13 ' A' ' 83' ' ' ILE . 71.8 mt-30 -68.39 -28.59 67.24 Favored 'General case' 0 C--O 1.208 -1.085 0 C-N-CA 120.073 -0.651 . . . . 72.33 109.318 177.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m -62.44 -39.45 93.41 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.642 -0.708 . . . . 71.11 109.657 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.01 -37.67 81.71 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.04 -0.726 . . . . 74.44 109.04 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.76 88.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.593 -0.73 . . . . 74.34 110.754 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.4 mt -64.41 -42.56 95.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.379 -0.6 . . . . 61.24 109.379 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -59.39 -46.43 88.71 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.928 -0.578 . . . . 71.22 110.897 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 27.1 mm-40 -59.13 -50.24 74.81 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.76 -0.654 . . . . 74.21 111.244 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.1 -42.92 95.72 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 123.38 0.672 . . . . 71.22 109.932 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -56.39 -50.23 72.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.592 -0.731 . . . . 74.53 109.772 177.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.24 -37.22 86.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.833 -0.622 . . . . 74.13 112.285 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 28.3 mmt180 -65.86 -36.21 82.81 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.246 0.546 . . . . 70.14 110.313 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -91.59 -12.81 33.26 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 112.957 0.725 . . . . 74.12 112.957 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.72 24.44 17.92 Favored Glycine 0 C--N 1.307 -1.028 0 C-N-CA 120.825 -0.703 . . . . 64.43 113.205 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 55.5 m-70 -84.56 121.8 28.13 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.106 -1.072 . . . . 64.41 108.106 176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -77.65 94.6 4.43 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 108.941 -0.762 . . . . 65.14 108.941 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.27 120.89 61.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 116.164 -0.471 . . . . 65.24 109.767 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.6 t -81.08 122.19 27.03 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 108.231 -1.026 . . . . 74.31 108.231 177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.0 p -81.28 -9.02 59.84 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-O 121.921 0.867 . . . . 72.21 110.557 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.0 mtt85 -88.7 72.93 8.6 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.838 -1.074 . . . . 71.24 108.244 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.14 -116.35 0.75 Allowed Glycine 0 N--CA 1.425 -2.05 0 C-N-CA 120.595 -0.812 . . . . 35.14 112.502 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -128.81 157.37 41.69 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 122.649 0.38 . . . . 75.12 110.157 -175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.5 mt -87.06 123.83 69.58 Favored Pre-proline 0 N--CA 1.432 -1.365 0 N-CA-C 107.005 -1.479 . . . . 74.33 107.005 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.46 130.66 36.63 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.492 2.128 . . . . 73.23 112.679 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.55 -29.8 66.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 123.626 0.771 . . . . 71.24 110.696 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.66 -41.24 97.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.807 -0.633 . . . . 53.43 109.826 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.22 -36.93 44.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 115.65 -0.705 . . . . 54.24 109.121 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.5 -45.46 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.575 . . . . 71.41 109.969 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.63 -42.37 91.58 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.047 -0.524 . . . . 65.24 109.79 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.83 -39.79 95.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.227 -0.897 . . . . 54.23 110.296 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.439 ' CD2' HG12 ' A' ' 83' ' ' ILE . 85.6 t80 -59.62 -55.77 30.33 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 123.847 0.859 . . . . 74.22 109.887 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -69.95 -13.99 62.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.82 0.674 . . . . 71.03 112.82 -178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.41 -32.98 19.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.793 0.33 . . . . 74.53 110.703 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.1 -46.05 13.25 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 112.376 0.509 . . . . 51.14 112.376 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.426 -1.674 0 CA-C-O 118.152 -0.928 . . . . 70.23 111.005 -177.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.647 0.261 . . . . 51.11 110.702 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.2 t -178.77 138.41 0.16 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.763 1.225 . . . . 73.14 107.852 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.44 -6.53 33.94 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 119.975 -1.107 . . . . 73.21 112.946 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -78.82 94.62 5.19 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.437 0.637 . . . . 61.41 109.935 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.76 56.95 0.02 OUTLIER Glycine 0 N--CA 1.429 -1.794 0 N-CA-C 110.948 -0.861 . . . . 75.2 110.948 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -71.85 130.82 41.98 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 108.601 -0.889 . . . . 72.55 108.601 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 149.99 172.79 19.73 Favored Glycine 0 N--CA 1.429 -1.796 0 N-CA-C 110.516 -1.034 . . . . 33.44 110.516 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -85.21 73.33 10.62 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 122.382 1.087 . . . . 72.12 111.022 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.71 -43.29 0.03 OUTLIER Glycine 0 N--CA 1.425 -2.04 0 N-CA-C 107.629 -2.188 . . . . 63.33 107.629 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.56 136.28 47.39 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 107.506 -1.294 . . . . 61.42 107.506 171.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.34 137.6 21.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 N-CA-C 109.411 -0.589 . . . . 72.12 109.411 -172.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.88 -35.88 82.57 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.266 -0.879 . . . . 53.33 111.661 -176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -140.19 -164.67 1.75 Allowed 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.312 -1.366 . . . . 74.44 107.312 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -76.35 144.92 39.83 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.997 -1.853 . . . . 71.15 105.997 170.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 83' ' ' ILE . 19.5 mp0 -50.71 -59.98 3.52 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.49 0.662 . . . . 70.12 110.983 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.3 m -63.21 -34.63 78.08 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.277 -0.874 . . . . 73.42 111.957 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -67.97 -36.64 80.4 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 110.044 -0.354 . . . . 75.13 110.044 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.03 84.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.796 -0.638 . . . . 63.33 110.005 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 79' ' ' GLN . 58.0 mt -61.55 -43.28 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 109.321 -0.622 . . . . 72.42 109.321 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 57.8 mtp180 -61.91 -41.93 98.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.764 -0.653 . . . . 63.4 111.198 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.643 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 38.7 mm-40 -60.06 -49.66 76.79 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 122.667 0.387 . . . . 71.32 110.314 176.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.08 -44.04 91.84 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 123.403 0.681 . . . . 72.22 109.222 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -58.83 -41.85 87.84 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.317 -0.856 . . . . 72.1 110.694 178.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 36.6 mmt180 -65.96 -36.87 84.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.024 -0.534 . . . . 73.43 111.214 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.3 mmt180 -72.0 -40.16 68.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.264 0.554 . . . . 73.42 110.483 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -82.44 -20.35 37.16 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.587 -0.733 . . . . 73.21 112.436 -177.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.88 42.54 3.29 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.192 -1.004 . . . . 73.14 113.353 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.472 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 66.1 m-70 -98.23 150.05 21.92 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.333 -0.617 . . . . 75.52 109.333 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.61 83.7 2.47 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.813 0.816 . . . . 74.21 109.34 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.5 t -89.57 -17.65 8.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 115.172 -0.922 . . . . 71.12 109.876 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 t 71.64 161.94 0.24 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.194 0.998 . . . . 64.41 111.391 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -12.2 60.44 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.534 0.683 . . . . 32.31 109.968 176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.6 mtp-105 -127.47 -176.31 3.71 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.998 -0.742 . . . . 71.14 108.998 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.09 -170.59 52.95 Favored Glycine 0 N--CA 1.435 -1.429 0 O-C-N 123.554 0.533 . . . . 73.11 112.536 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -99.28 173.87 6.57 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.609 -0.885 . . . . 73.31 108.609 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.4 mt -90.02 124.89 62.28 Favored Pre-proline 0 C--N 1.293 -1.87 0 N-CA-C 107.246 -1.39 . . . . 74.43 107.246 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.44 136.64 60.3 Favored 'Trans proline' 0 C--O 1.252 1.219 0 C-N-CA 122.014 1.809 . . . . 65.13 111.721 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -26.8 66.3 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 123.442 0.697 . . . . 74.3 110.359 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.34 -39.52 94.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.994 -0.548 . . . . 75.04 110.405 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.51 -40.77 63.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 108.433 -0.951 . . . . 73.15 108.433 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.84 -40.67 89.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.425 -0.807 . . . . 52.33 110.188 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.69 -50.23 65.64 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 115.687 -0.688 . . . . 64.11 109.314 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.79 89.81 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.233 -0.894 . . . . 62.15 110.523 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -55.5 -54.87 38.54 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.883 0.873 . . . . 74.31 109.97 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.54 -14.32 60.4 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.976 0.732 . . . . 64.35 112.976 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -91.7 -15.75 27.97 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 122.258 -0.276 . . . . 51.0 111.535 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.7 -41.68 6.81 Favored 'General case' 0 CA--C 1.479 -1.781 0 CA-C-O 122.199 0.999 . . . . 63.33 108.633 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.383 -3.81 0 CA-C-N 113.251 -1.795 . . . . 74.31 109.497 -174.326 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 C--O 1.239 0.531 0 CA-C-O 120.828 0.347 . . . . 75.35 110.111 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.6 t -144.29 161.31 39.25 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.996 -1.483 . . . . 74.14 106.996 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.49 65.74 0.01 OUTLIER Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 120.383 -0.913 . . . . 74.35 111.179 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -75.63 141.21 42.86 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 120.712 0.291 . . . . 70.32 110.637 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.09 -177.03 14.67 Favored Glycine 0 N--CA 1.435 -1.429 0 C-N-CA 120.133 -1.032 . . . . 63.0 112.512 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? 63.51 84.57 0.15 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 125.032 1.333 . . . . 63.55 110.747 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.28 -119.19 5.98 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.907 -1.277 . . . . 55.53 109.907 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 63.1 25.29 14.86 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.125 0.97 . . . . 62.22 111.217 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.49 -26.89 41.17 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.139 -1.184 . . . . 74.43 110.139 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.0 165.06 13.39 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 114.581 -0.81 . . . . 53.15 109.174 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.6 mt -85.52 113.23 23.48 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 N-CA-C 108.137 -1.06 . . . . 73.4 108.137 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -72.58 -40.73 66.38 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 115.198 -0.91 . . . . 54.42 111.873 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -113.68 -167.08 1.15 Allowed 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.587 -0.733 . . . . 64.34 109.839 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.4 149.28 38.86 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.286 -1.005 . . . . 74.34 108.286 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.588 ' O ' HG13 ' A' ' 83' ' ' ILE . 52.9 mt-30 -56.18 -49.43 74.05 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.504 -0.924 . . . . 72.55 108.504 175.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -55.84 -48.72 74.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.006 -0.997 . . . . 55.31 111.007 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.47 97.86 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.007 -0.542 . . . . 74.0 110.619 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.09 -37.37 85.6 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.795 -0.639 . . . . 60.23 111.148 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 79' ' ' GLN . 73.6 mt -64.79 -44.75 96.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.507 -0.553 . . . . 51.13 109.507 176.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -60.86 -41.69 96.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.943 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.52 -42.28 87.5 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 73.15 111.583 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -64.64 -43.11 94.71 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.07 -0.715 . . . . 75.44 109.07 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.53 69.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.375 -0.83 . . . . 75.02 110.047 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -61.66 -40.51 95.2 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.839 -0.618 . . . . 74.02 112.459 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -71.04 -28.54 64.45 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.368 0.507 . . . . 70.02 112.368 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -94.3 -11.2 30.58 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.704 0.631 . . . . 73.43 112.704 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.68 24.44 20.76 Favored Glycine 0 C--N 1.311 -0.825 0 C-N-CA 120.671 -0.776 . . . . 70.11 113.496 174.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -83.99 144.31 29.22 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.292 -0.633 . . . . 72.32 109.292 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -81.54 82.0 7.46 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 122.0 0.905 . . . . 51.25 111.961 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.3 t -130.51 109.11 16.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.138 -1.801 . . . . 75.42 106.138 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -92.29 -174.09 3.62 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 115.991 -0.55 . . . . 25.42 110.167 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.2 p -90.32 20.08 4.7 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 113.336 0.865 . . . . 64.45 113.336 -173.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -71.89 -46.39 57.95 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.997 -0.681 . . . . 74.53 110.923 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.58 -42.04 0.86 Allowed Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 119.393 -1.384 . . . . 62.42 113.419 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.1 mtt-85 -83.95 121.35 27.25 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 119.689 -0.804 . . . . 74.25 112.705 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.8 mt -92.73 130.58 36.31 Favored Pre-proline 0 C--N 1.295 -1.798 0 CA-C-N 114.475 -1.239 . . . . 73.52 108.753 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.4 131.36 24.59 Favored 'Trans proline' 0 C--O 1.251 1.173 0 C-N-CA 121.702 1.601 . . . . 72.23 110.393 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.74 -22.57 65.5 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 122.921 0.488 . . . . 73.13 111.549 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.99 -39.5 94.26 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.716 -0.846 . . . . 75.02 108.716 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.44 -37.68 30.99 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 CA-C-N 115.413 -0.812 . . . . 51.25 108.823 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.08 -46.24 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.905 -0.588 . . . . 73.11 110.06 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.33 -44.27 75.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.051 -0.522 . . . . 60.33 110.207 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.09 84.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.847 -0.615 . . . . 63.04 110.072 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.99 -56.85 15.74 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.079 0.952 . . . . 60.2 110.782 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -67.44 -23.73 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.606 0.595 . . . . 72.13 112.606 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.3 -20.24 28.68 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.099 0.476 . . . . 75.2 111.057 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.46 -49.34 5.72 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.348 0.869 . . . . 45.24 113.348 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.251 1.174 0 C-N-CA 120.373 -0.531 . . . . 65.22 110.758 -173.806 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 CA--C 1.495 -1.165 0 CA-C-O 120.874 0.369 . . . . 63.2 110.653 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -147.91 144.0 27.76 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 108.235 -1.024 . . . . 73.01 108.235 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.51 -60.2 0.2 Allowed Glycine 0 N--CA 1.435 -1.368 0 N-CA-C 111.296 -0.721 . . . . 63.44 111.296 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 m -122.02 122.73 39.98 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.189 0.519 . . . . 75.2 110.063 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.54 68.23 0.22 Allowed Glycine 0 CA--C 1.479 -2.173 0 N-CA-C 107.457 -2.257 . . . . 60.1 107.457 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 72.88 -172.41 0.14 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.803 0.841 . . . . 75.45 108.765 -172.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.87 30.29 52.34 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 109.36 -1.496 . . . . 74.04 109.36 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -127.69 17.09 6.92 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.085 -1.057 . . . . 74.24 108.985 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.01 26.62 3.47 Favored Glycine 0 C--N 1.308 -0.994 0 N-CA-C 109.767 -1.333 . . . . 75.42 109.767 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.76 123.41 4.6 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 107.565 -1.272 . . . . 51.15 107.565 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 77' ' ' ARG . 44.5 mt -93.95 94.92 4.83 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.559 0 CA-C-O 122.86 1.315 . . . . 70.44 112.66 -168.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -124.03 0.42 8.5 Favored 'General case' 0 C--N 1.267 -2.979 0 CA-C-N 112.562 -2.108 . . . . 74.4 105.849 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 75' ' ' ILE . 35.9 mtp85 -139.58 148.07 42.02 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 103.001 -2.963 . . . . 73.04 103.001 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.84 144.02 55.51 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 112.934 0.716 . . . . 75.44 112.934 -172.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.549 ' O ' HG13 ' A' ' 83' ' ' ILE . 77.3 mt-30 -52.51 -49.45 64.77 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.01 0.924 . . . . 73.54 110.873 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t -55.6 -49.14 73.58 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.784 0.434 . . . . 73.11 110.522 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.22 89.66 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.399 -0.364 . . . . 74.11 110.609 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.19 93.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 61.21 111.173 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.2 mt -66.31 -43.49 91.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.287 -0.634 . . . . 75.21 109.287 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -59.57 -44.57 93.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.683 -0.69 . . . . 73.32 111.234 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -68.28 -37.75 81.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.614 -0.721 . . . . 72.43 111.317 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -63.35 -41.26 98.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.272 -1.01 . . . . 64.44 108.272 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -59.01 -46.86 87.12 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.1 -0.954 . . . . 44.11 110.583 177.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.463 HH21 HG23 ' A' ' 96' ' ' THR . 62.0 mtt-85 -64.1 -43.08 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.941 -0.304 . . . . 74.23 111.125 178.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -60.26 -37.33 80.08 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.162 0.585 . . . . 74.24 111.226 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -89.16 -21.92 23.08 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 113.032 0.753 . . . . 71.1 113.032 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.58 35.09 4.48 Favored Glycine 0 C--N 1.315 -0.598 0 C-N-CA 120.794 -0.717 . . . . 44.44 113.204 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.428 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 75.2 m-70 -95.5 164.39 12.82 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 122.511 -0.405 . . . . 74.55 109.986 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -98.35 100.38 11.65 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.622 -0.881 . . . . 54.24 108.622 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.0 t -141.69 -51.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 109.052 -0.722 . . . . 54.41 109.052 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.3 t 63.41 -162.27 0.28 Allowed 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 114.982 -1.008 . . . . 64.43 109.492 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 HH21 ' A' ' 88' ' ' ARG . 4.6 p -109.08 17.94 21.13 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 121.376 0.608 . . . . 53.34 110.605 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 97' ' ' ARG . 53.8 mtp180 -125.93 113.64 17.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.78 -0.645 . . . . 73.03 109.904 -176.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.31 -175.05 18.02 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.831 -0.699 . . . . 50.32 111.486 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -99.5 145.91 26.95 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.402 -0.962 . . . . 65.45 108.402 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 mt -70.02 130.22 90.06 Favored Pre-proline 0 C--N 1.302 -1.493 0 C-N-CA 122.787 0.435 . . . . 62.43 111.251 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.11 133.79 42.75 Favored 'Trans proline' 0 C--O 1.257 1.43 0 C-N-CA 122.357 2.038 . . . . 51.44 110.804 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.4 -22.21 63.1 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.443 0.697 . . . . 74.33 112.283 -177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -64.12 -42.66 96.76 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.158 -0.682 . . . . 74.01 109.158 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.2 t -72.54 -39.5 61.79 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.282 -0.872 . . . . 74.12 108.724 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 68.5 mt -59.57 -45.54 93.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.604 . . . . 73.52 110.941 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.79 -43.51 83.74 Favored 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 120.764 -0.374 . . . . 63.14 110.01 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -41.66 86.38 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.882 -0.599 . . . . 61.3 110.617 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.451 ' CD2' HG12 ' A' ' 83' ' ' ILE . 74.1 t80 -59.19 -58.49 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.01 0.924 . . . . 75.01 110.606 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -66.18 -18.57 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.08 0.4 . . . . 61.21 112.08 -177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.74 26.22 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.298 -0.41 . . . . 73.44 110.677 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.74 -33.99 21.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.01 0.744 . . . . 75.05 113.01 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.43 -1.455 0 C-N-CA 120.215 -0.594 . . . . 74.23 110.537 -178.591 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 CA--C 1.512 -0.506 0 N-CA-C 107.756 -1.201 . . . . 65.34 107.756 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.6 m 70.82 89.44 0.1 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.017 0.913 . . . . 55.33 111.048 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.68 64.31 4.31 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 114.647 -1.161 . . . . 73.31 112.708 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.2 m -66.32 123.78 20.89 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 108.945 -0.761 . . . . 73.54 108.945 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.41 -86.56 1.78 Allowed Glycine 0 N--CA 1.427 -1.933 0 N-CA-C 110.31 -1.116 . . . . 63.12 110.31 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 54.37 82.1 0.09 Allowed 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.402 1.081 . . . . 75.24 113.237 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.09 -157.6 8.22 Favored Glycine 0 N--CA 1.422 -2.282 0 N-CA-C 110.265 -1.134 . . . . 74.01 110.265 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -88.77 115.38 26.27 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 120.741 0.305 . . . . 65.11 110.547 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.29 60.94 4.77 Favored Glycine 0 C--N 1.312 -0.798 0 N-CA-C 109.476 -1.45 . . . . 51.31 109.476 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -156.81 -172.11 3.92 Favored 'General case' 0 N--CA 1.426 -1.647 0 C-N-CA 124.186 0.994 . . . . 45.34 108.323 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.0 mt -101.36 151.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.956 -1.127 . . . . 70.32 107.956 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.41 161.6 7.19 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 123.368 0.417 . . . . 75.24 110.623 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -58.65 -36.26 73.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.265 0.555 . . . . 73.43 109.995 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -91.3 80.44 5.55 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-O 121.833 0.825 . . . . 75.12 109.146 171.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 83' ' ' ILE . 53.9 mt-30 -57.45 -46.25 83.82 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.269 -1.332 . . . . 64.42 111.801 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.0 m -60.34 -40.35 90.38 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.902 -0.59 . . . . 64.04 109.86 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.7 -40.26 88.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.734 -0.666 . . . . 73.54 110.637 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.42 99.39 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.897 0.748 . . . . 65.14 110.721 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.4 mt -64.87 -45.22 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.048 178.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -58.66 -43.7 89.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.317 0.58 . . . . 71.15 110.443 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -63.41 -41.12 98.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.732 -0.667 . . . . 64.35 112.314 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -66.49 -41.31 89.14 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 109.162 -0.681 . . . . 65.34 109.162 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.74 89.56 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.094 -0.957 . . . . 73.14 110.52 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -69.9 -35.1 74.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.285 -0.416 . . . . 74.53 111.266 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 mtm180 -62.82 -38.05 89.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 121.338 0.589 . . . . 64.4 112.007 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -89.4 -30.12 18.58 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.601 -0.727 . . . . 75.55 112.671 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.19 45.03 1.52 Allowed Glycine 0 C--N 1.306 -1.133 0 C-N-CA 120.315 -0.945 . . . . 63.04 112.367 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -99.88 148.89 23.97 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.771 -0.826 . . . . 71.55 108.771 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -83.07 70.31 10.02 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 122.221 1.01 . . . . 71.15 111.771 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.0 t -112.41 117.07 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.004 0 CA-C-N 114.456 -1.247 . . . . 61.52 107.67 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.1 t -93.11 144.46 25.25 Favored 'General case' 0 N--CA 1.415 -2.221 0 N-CA-C 107.748 -1.205 . . . . 71.14 107.748 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -71.56 -13.07 61.67 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 116.269 -0.423 . . . . 65.02 111.131 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.15 20.19 13.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.72 -0.673 . . . . 73.13 110.234 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.71 -177.1 22.65 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 110.713 -0.955 . . . . 74.34 110.713 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -88.04 163.37 16.31 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 117.238 0.519 . . . . 72.35 111.071 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.9 mt -87.24 127.71 58.06 Favored Pre-proline 0 C--N 1.305 -1.36 0 N-CA-C 109.37 -0.604 . . . . 43.22 109.37 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.96 136.07 34.09 Favored 'Trans proline' 0 C--O 1.254 1.308 0 C-N-CA 122.11 1.874 . . . . 73.12 111.353 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.12 67.37 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 116.102 -0.499 . . . . 73.3 111.054 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.27 -42.16 85.89 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.063 -0.517 . . . . 75.01 110.479 174.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.03 -37.6 47.45 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.287 -0.635 . . . . 60.1 109.287 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.01 -43.88 99.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.864 -0.607 . . . . 72.41 110.303 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.54 -43.59 89.44 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 108.985 -0.746 . . . . 75.51 108.985 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.54 99.48 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.938 -1.028 . . . . 62.24 110.467 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.97 -53.69 49.36 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 123.58 0.752 . . . . 74.13 109.289 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -71.89 -18.45 62.04 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.951 0.723 . . . . 53.1 112.951 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.86 -25.05 30.61 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.624 -0.262 . . . . 54.44 111.341 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.47 -41.28 7.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 122.335 1.064 . . . . 73.33 109.836 -176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.381 -3.891 0 CA-C-N 113.479 -1.692 . . . . 73.11 109.782 -173.681 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 50.8 ttm . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 109.508 -0.553 . . . . 74.45 109.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.3 m -141.64 107.63 5.18 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 110.236 -0.283 . . . . 73.2 110.236 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -105.84 72.02 0.22 Allowed Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.192 -1.563 . . . . 53.23 109.192 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m -67.1 103.4 1.18 Allowed 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 123.738 0.815 . . . . 50.22 111.214 -175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.433 ' H ' ' HD2' ' A' ' 70' ' ' ARG . . . 168.73 79.42 0.04 OUTLIER Glycine 0 N--CA 1.433 -1.51 0 CA-C-N 115.312 -0.858 . . . . 61.51 111.193 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HD2' ' H ' ' A' ' 69' ' ' GLY . 3.5 mpt_? -123.09 104.15 9.02 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.374 -0.531 . . . . 71.24 112.204 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.6 -111.45 3.71 Favored Glycine 0 C--N 1.308 -0.989 0 N-CA-C 115.007 0.763 . . . . 54.4 115.007 172.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.46 162.65 28.33 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 121.11 0.481 . . . . 64.22 111.699 -176.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.09 -169.35 29.34 Favored Glycine 0 N--CA 1.424 -2.146 0 N-CA-C 110.687 -0.965 . . . . 44.43 110.687 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.48 174.53 6.62 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.227 -1.397 . . . . 74.32 107.227 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.6 mt -101.84 122.93 54.66 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.221 0 N-CA-C 108.632 -0.877 . . . . 74.14 108.632 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.06 -39.9 93.94 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.863 -1.062 . . . . 74.13 110.846 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -90.23 171.5 9.45 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.969 -1.123 . . . . 74.11 107.969 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 156.92 36.41 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.893 -0.78 . . . . 72.21 108.893 170.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.561 ' O ' HG13 ' A' ' 83' ' ' ILE . 51.2 mt-30 -63.07 -41.95 99.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.345 -0.613 . . . . 73.31 109.345 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -60.17 -41.69 93.38 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 115.407 -0.815 . . . . 70.34 109.087 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -69.86 -34.8 74.07 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 116.126 -0.488 . . . . 35.0 110.741 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.85 90.18 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.939 0.4 . . . . 75.15 110.374 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.0 mt -63.01 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 N-CA-C 108.6 -0.889 . . . . 53.54 108.6 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.12 -38.39 85.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 75.34 112.042 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 74.2 mm-40 -56.82 -48.34 78.21 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.994 -0.743 . . . . 72.43 108.994 174.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -65.22 -43.32 91.85 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.166 -0.924 . . . . 72.31 109.869 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -57.38 -45.37 84.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.272 -0.876 . . . . 71.53 110.087 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -64.39 -40.18 95.3 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.077 -0.51 . . . . 74.34 112.06 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -60.77 -38.23 84.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.476 0.655 . . . . 74.34 110.689 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -90.56 -11.98 38.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.587 0.958 . . . . 72.21 113.587 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.69 36.89 7.13 Favored Glycine 0 C--N 1.308 -0.997 0 C-N-CA 120.277 -0.963 . . . . 54.53 112.938 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.492 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 49.9 m-70 -95.45 134.9 37.76 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.855 -0.794 . . . . 72.43 108.855 176.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -91.29 90.51 7.77 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.669 -0.863 . . . . 75.33 108.669 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.7 t -95.89 119.63 44.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-N 115.424 -0.807 . . . . 55.13 109.168 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.8 t -65.4 127.47 31.92 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 115.389 -0.823 . . . . 63.42 109.868 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 36.3 p -70.92 -29.67 65.78 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 121.759 0.79 . . . . 70.41 109.448 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -92.86 103.35 15.7 Favored 'General case' 0 N--CA 1.425 -1.679 0 N-CA-C 107.673 -1.232 . . . . 71.53 107.673 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.61 -168.44 21.73 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.935 -0.866 . . . . 65.51 110.935 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -108.94 145.81 34.82 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 108.293 -1.003 . . . . 72.14 108.293 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.22 127.48 88.14 Favored Pre-proline 0 C--N 1.321 -0.659 0 O-C-N 123.355 0.409 . . . . 72.45 110.107 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.33 137.39 80.23 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 122.513 2.142 . . . . 70.23 111.89 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.23 -27.06 63.59 Favored 'General case' 0 C--O 1.207 -1.184 0 CA-C-N 115.151 -0.931 . . . . 75.14 110.77 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.58 -43.93 93.49 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 116.248 -0.433 . . . . 72.13 110.558 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.28 -41.06 57.8 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.002 0 N-CA-C 108.92 -0.77 . . . . 71.54 108.92 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.0 -39.2 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.366 0.603 . . . . 75.2 110.526 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.8 -47.23 72.73 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.558 -0.746 . . . . 74.42 109.699 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.33 94.2 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.242 -0.89 . . . . 64.15 109.976 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -55.96 -55.56 31.22 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.289 1.036 . . . . 73.04 111.021 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -71.1 -25.76 62.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.659 -0.417 . . . . 71.11 112.038 -178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.54 71.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.067 0.461 . . . . 33.41 110.344 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.28 -48.1 8.81 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.707 -0.678 . . . . 64.31 112.558 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.262 1.755 0 CA-C-O 118.562 -0.732 . . . . 64.43 110.952 -177.25 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 50.6 tpp . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 107.953 -1.128 . . . . 73.23 107.953 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -151.75 84.39 1.29 Allowed 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 106.642 -1.614 . . . . 65.21 106.642 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.03 82.99 1.64 Allowed Glycine 0 N--CA 1.435 -1.405 0 CA-C-N 115.215 -0.902 . . . . 61.25 113.642 -174.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 p -126.99 -71.74 0.67 Allowed 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 110.055 -0.35 . . . . 72.25 110.055 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.05 -159.81 46.31 Favored Glycine 0 N--CA 1.437 -1.252 0 N-CA-C 111.979 -0.448 . . . . 22.3 111.979 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 7.5 mpt_? -113.67 98.8 7.27 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.225 -0.657 . . . . 73.24 109.225 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.77 164.8 27.98 Favored Glycine 0 N--CA 1.421 -2.338 0 N-CA-C 109.84 -1.304 . . . . 34.41 109.84 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -69.89 -51.2 35.14 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.403 -0.962 . . . . 72.32 108.403 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.67 27.83 1.47 Allowed Glycine 0 N--CA 1.438 -1.223 0 N-CA-C 109.263 -1.535 . . . . 71.31 109.263 176.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.63 155.22 36.53 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 114.067 -1.067 . . . . 64.42 111.658 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.8 mt -94.78 104.98 16.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 CA-C-N 114.64 -1.163 . . . . 72.11 108.845 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.528 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 30.6 t70 -108.09 72.72 0.86 Allowed 'General case' 0 C--N 1.273 -2.733 0 CA-C-N 114.418 -1.265 . . . . 74.24 108.081 177.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -170.72 167.56 7.69 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 127.87 2.468 . . . . 72.3 105.3 -177.671 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.29 121.5 19.54 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 106.999 -1.482 . . . . 70.34 106.999 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.453 ' O ' HG13 ' A' ' 83' ' ' ILE . 47.4 mt-30 -55.81 -40.83 73.28 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.057 0.392 . . . . 64.15 112.057 -178.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 p -60.53 -45.89 92.17 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.495 0.664 . . . . 52.43 110.852 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.84 79.97 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-N 115.269 -0.878 . . . . 71.42 110.838 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.81 86.53 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 116.137 -0.483 . . . . 54.4 110.633 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 79' ' ' GLN . 71.1 mt -62.31 -40.95 89.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.154 0 N-CA-C 109.183 -0.673 . . . . 71.32 109.183 176.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -61.26 -43.57 98.67 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.86 -0.609 . . . . 71.41 111.439 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 35.9 mm-40 -58.11 -46.56 85.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 122.643 0.377 . . . . 71.1 110.7 177.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -64.78 -42.82 94.79 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 108.952 -0.758 . . . . 72.32 108.952 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.27 85.84 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.224 -0.898 . . . . 61.03 110.242 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.7 OUTLIER -62.6 -39.51 93.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 73.24 110.441 179.554 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 14.5 mmt180 -62.06 -44.8 95.89 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.372 0.606 . . . . 62.14 110.467 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.84 -28.42 44.33 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.187 -0.915 . . . . 75.04 112.331 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.59 22.2 8.26 Favored Glycine 0 C--N 1.307 -1.039 0 C-N-CA 120.317 -0.944 . . . . 74.0 112.058 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -80.96 129.4 34.52 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.94 -0.763 . . . . 71.12 108.94 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.408 ' N ' HD22 ' A' ' 93' ' ' ASN . 0.9 OUTLIER -83.02 90.31 7.01 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.528 0.68 . . . . 73.24 111.776 -177.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.1 t -99.39 114.58 37.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-N 114.971 -1.013 . . . . 71.32 108.615 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 t -84.38 161.22 20.44 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 115.354 -0.839 . . . . 73.52 109.82 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 p -84.19 -16.34 43.74 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-O 121.603 0.716 . . . . 73.42 109.611 175.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -99.65 85.09 3.05 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.674 -0.693 . . . . 65.1 110.811 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.88 -145.21 14.35 Favored Glycine 0 N--CA 1.418 -2.509 0 CA-C-N 115.214 -0.903 . . . . 74.03 111.174 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -125.29 169.83 11.9 Favored 'General case' 0 C--N 1.288 -2.106 0 N-CA-C 109.072 -0.714 . . . . 60.41 109.072 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.1 mt -78.93 122.19 84.29 Favored Pre-proline 0 C--N 1.299 -1.589 0 N-CA-C 107.263 -1.384 . . . . 72.43 107.263 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.81 133.97 51.0 Favored 'Trans proline' 0 C--O 1.251 1.155 0 C-N-CA 122.399 2.066 . . . . 61.5 111.629 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.46 -25.51 66.06 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-N 115.639 -0.709 . . . . 71.05 110.558 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.38 -40.67 91.67 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 123.255 0.622 . . . . 61.33 110.054 174.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.2 t -76.04 -38.29 34.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 N-CA-C 108.904 -0.776 . . . . 50.53 108.904 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.22 -42.1 94.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 115.97 -0.559 . . . . 61.41 110.477 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.04 -47.01 72.67 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.983 -0.553 . . . . 74.34 109.612 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.88 90.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 74.24 110.55 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -54.7 -56.24 21.32 Favored 'General case' 0 C--O 1.194 -1.829 0 C-N-CA 123.595 0.758 . . . . 73.01 109.619 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -72.38 -12.18 61.01 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.342 0.867 . . . . 63.14 113.342 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.64 -30.33 24.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 116.433 -0.349 . . . . 73.24 110.63 175.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -97.18 -36.57 10.41 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 122.429 1.109 . . . . 72.12 109.442 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m . . . . . 1 N--CA 1.377 -4.091 0 CA-C-N 113.119 -1.855 . . . . 70.21 108.978 -173.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.7 tpp . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 120.722 0.296 . . . . 74.15 110.286 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.2 m -86.69 82.43 7.87 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 107.971 -1.122 . . . . 54.3 107.971 176.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.23 38.34 1.85 Allowed Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 120.166 -1.016 . . . . 72.23 113.066 -175.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 m -75.26 -30.26 60.43 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.681 -1.229 . . . . 74.24 107.681 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.86 82.99 0.29 Allowed Glycine 0 N--CA 1.42 -2.407 0 N-CA-C 108.889 -1.684 . . . . 73.32 108.889 174.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -76.55 149.77 36.62 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 121.03 -0.268 . . . . 75.33 110.435 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.43 151.29 46.44 Favored Glycine 0 N--CA 1.429 -1.807 0 C-N-CA 120.659 -0.781 . . . . 43.01 111.873 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -75.3 -7.03 52.84 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.547 0.689 . . . . 74.21 110.667 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.09 -0.02 87.31 Favored Glycine 0 N--CA 1.431 -1.683 0 CA-C-N 115.069 -0.968 . . . . 65.25 111.785 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 147.86 51.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.413 -0.588 . . . . 73.42 109.413 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.504 HG21 HE21 ' A' ' 79' ' ' GLN . 21.9 mt -100.81 133.11 45.08 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.218 0 CA-C-N 116.119 -0.491 . . . . 71.04 109.688 -172.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -77.34 -54.15 6.81 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.24 -0.891 . . . . 61.33 110.059 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -83.87 148.72 26.81 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.088 -1.079 . . . . 74.25 108.088 176.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.91 130.59 38.74 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 108.362 -0.977 . . . . 73.02 108.362 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.504 HE21 HG21 ' A' ' 75' ' ' ILE . 77.3 mm-40 -64.0 -35.2 79.94 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.52 -0.548 . . . . 75.14 109.52 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.435 ' O ' HD11 ' A' ' 100' ' ' ILE . 4.3 m -59.2 -45.46 91.03 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.556 -0.747 . . . . 75.13 109.715 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . -66.93 -43.06 84.21 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.721 -0.474 . . . . 75.23 109.721 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.66 92.86 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.726 -0.67 . . . . 62.22 111.535 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.492 ' HB ' HD13 ' A' ' 100' ' ' ILE . 77.5 mt -67.92 -36.53 75.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.944 -0.391 . . . . 55.43 109.944 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HG3' HD11 ' A' ' 100' ' ' ILE . 59.8 mtp180 -67.47 -37.67 83.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.87 0.322 . . . . 72.15 111.87 177.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.9 mt-10 -63.1 -44.22 96.31 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.664 -0.495 . . . . 72.04 109.664 174.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -62.83 -43.72 98.05 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 115.639 -0.71 . . . . 74.43 109.215 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.84 0.856 . . . . 70.34 110.734 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -69.19 -33.96 74.17 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.558 -0.292 . . . . 71.41 111.559 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 10.4 mmm180 -62.95 -39.93 96.14 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.56 0.695 . . . . 64.2 111.002 176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.3 -26.86 22.06 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.205 -0.907 . . . . 74.54 112.893 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.23 28.83 3.94 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.401 -0.905 . . . . 61.15 113.539 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -97.31 141.47 30.36 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 109.636 -0.505 . . . . 73.21 109.636 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -96.76 100.55 12.09 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.342 0.591 . . . . 71.53 110.813 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -99.14 -17.11 6.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 CA-C-N 115.492 -0.777 . . . . 71.12 109.481 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.4 t 65.94 -179.44 0.2 Allowed 'General case' 0 C--O 1.247 0.924 0 CA-C-N 114.923 -1.035 . . . . 72.24 110.899 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 p -107.45 -20.68 13.18 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.555 -0.748 . . . . 72.45 109.849 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -74.81 -51.95 12.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.637 0.732 . . . . 74.44 109.158 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.03 -159.51 32.51 Favored Glycine 0 N--CA 1.426 -1.981 0 CA-C-N 114.747 -1.115 . . . . 74.5 113.177 -175.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -132.92 177.72 7.43 Favored 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 107.128 -1.434 . . . . 72.31 107.128 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.492 HD13 ' HB ' ' A' ' 83' ' ' ILE . 14.7 mt -75.41 125.41 88.84 Favored Pre-proline 0 C--N 1.295 -1.792 0 N-CA-C 112.907 0.706 . . . . 64.23 112.907 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.54 145.82 48.12 Favored 'Trans proline' 0 C--O 1.262 1.688 0 C-N-CA 122.393 2.062 . . . . 65.35 110.56 173.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.69 58.67 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 123.865 0.866 . . . . 73.21 110.807 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.39 -41.72 94.42 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 121.557 0.694 . . . . 64.43 110.679 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.87 -37.16 27.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 109.14 -0.689 . . . . 74.14 109.14 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.97 -38.39 82.28 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 CA-C-N 115.964 -0.562 . . . . 72.21 110.155 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.2 -51.83 53.89 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.604 -0.726 . . . . 75.52 109.317 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.23 87.41 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.256 -0.884 . . . . 44.04 110.826 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -56.25 -56.96 14.59 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 115.927 -0.579 . . . . 74.31 110.19 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -70.61 -15.9 62.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.699 0.629 . . . . 62.32 112.699 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.84 -28.22 33.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.489 -0.323 . . . . 72.21 110.725 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -99.93 -27.38 13.62 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 122.148 0.975 . . . . 62.23 110.057 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.2 m . . . . . 1 N--CA 1.375 -4.184 0 CA-C-N 113.926 -1.488 . . . . 74.24 109.691 -172.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.344 0.592 . . . . 73.33 110.031 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 m -147.1 -62.25 0.29 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.543 -1.28 . . . . 75.03 107.543 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.16 -117.47 2.05 Favored Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 110.739 -0.944 . . . . 63.31 110.739 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.7 p -88.71 -14.09 38.09 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 121.087 0.47 . . . . 74.43 110.519 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 116.97 -159.24 14.07 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.985 -0.846 . . . . 72.34 110.985 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 75.55 105.86 0.07 Allowed 'General case' 0 C--O 1.245 0.829 0 C-N-CA 124.538 1.135 . . . . 65.02 113.765 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.07 23.56 2.58 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.14 -0.936 . . . . 71.42 112.753 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -100.96 136.38 40.91 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.016 -0.735 . . . . 62.21 109.016 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.54 -79.76 0.73 Allowed Glycine 0 CA--C 1.485 -1.813 0 N-CA-C 107.58 -2.208 . . . . 74.44 107.58 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.54 126.12 50.5 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 106.63 -1.618 . . . . 72.31 106.63 170.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.9 mt -79.25 128.49 38.5 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.357 0 CA-C-N 115.244 -0.889 . . . . 72.34 109.453 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -76.68 -44.78 32.27 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.8 0.81 . . . . 51.32 110.082 -176.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -93.16 172.26 8.41 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.899 -1.046 . . . . 54.2 109.912 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.41 134.51 45.44 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 112.352 0.501 . . . . 75.1 112.352 -174.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 83' ' ' ILE . 71.0 mt-30 -62.17 -35.39 78.66 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.414 -0.958 . . . . 74.34 108.414 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 29.6 m -57.43 -42.49 82.47 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.248 -0.887 . . . . 65.21 110.91 176.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.32 -45.89 78.74 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 109.385 -0.598 . . . . 64.03 109.385 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -44.54 83.2 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 116.009 -0.541 . . . . 63.14 111.325 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.5 mt -66.11 -39.65 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.431 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 80' ' ' SER . 42.0 mtm105 -68.32 -42.18 79.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.633 0.234 . . . . 74.24 111.633 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.49 -41.34 97.13 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 111.554 0.205 . . . . 71.12 111.554 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.431 ' O ' ' HB2' ' A' ' 89' ' ' ARG . 66.4 t90 -64.67 -41.45 96.07 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 109.167 -0.679 . . . . 75.13 109.167 177.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -56.59 -51.41 68.75 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.078 -0.964 . . . . 51.51 109.919 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -65.85 -30.75 71.41 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.751 -0.659 . . . . 74.04 112.443 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 86' ' ' TRP . 16.9 mmt85 -61.54 -44.7 96.58 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.557 0.694 . . . . 52.3 109.168 172.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -90.08 -7.87 52.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 114.269 1.211 . . . . 64.13 114.269 -174.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.3 4.34 50.29 Favored Glycine 0 C--N 1.306 -1.096 0 C-N-CA 120.589 -0.815 . . . . 73.31 113.673 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.521 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 72.8 m-70 -81.75 118.42 22.85 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.578 -1.268 . . . . 63.51 107.578 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.27 99.81 9.54 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 120.996 0.427 . . . . 75.25 110.352 -177.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 51.8 t -124.28 123.99 67.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 N-CA-C 108.097 -1.075 . . . . 71.01 108.097 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.9 t -100.59 179.5 4.41 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.231 0.539 . . . . 73.41 109.982 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.5 p -84.94 -15.55 44.02 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 108.536 -0.913 . . . . 70.12 108.536 174.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -90.69 97.77 11.38 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 114.766 -1.106 . . . . 64.52 108.381 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.08 168.93 20.62 Favored Glycine 0 N--CA 1.434 -1.461 0 N-CA-C 109.789 -1.324 . . . . 72.01 109.789 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -80.35 178.73 8.1 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 117.349 0.574 . . . . 74.01 111.524 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -90.61 131.56 37.59 Favored Pre-proline 0 C--N 1.307 -1.272 0 N-CA-C 109.547 -0.538 . . . . 71.04 109.547 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.71 131.84 48.07 Favored 'Trans proline' 0 C--O 1.247 0.97 0 C-N-CA 122.492 2.128 . . . . 74.02 111.439 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.58 67.54 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.22 0.608 . . . . 71.13 110.488 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.91 -41.65 92.16 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.646 -0.501 . . . . 64.44 109.646 175.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.9 t -72.86 -41.17 61.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.418 -0.586 . . . . 71.13 109.418 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.63 -45.31 98.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.708 -0.678 . . . . 74.23 110.482 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.7 -44.57 77.39 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.791 -0.641 . . . . 73.22 109.797 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.87 93.74 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.299 -0.864 . . . . 62.23 110.588 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -57.33 -56.55 20.35 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 123.532 0.733 . . . . 74.31 110.323 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -68.67 -17.36 64.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.333 0.864 . . . . 72.34 113.333 -176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.18 -35.6 16.14 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.832 0.348 . . . . 62.23 111.601 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.31 9.02 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 112.886 0.699 . . . . 60.34 112.886 -174.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.421 -1.889 0 N-CA-C 109.325 -0.62 . . . . 70.44 109.325 -174.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 120.822 0.344 . . . . 73.35 110.158 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 p -107.56 -60.25 1.72 Allowed 'General case' 0 N--CA 1.423 -1.814 0 CA-C-O 121.559 0.695 . . . . 61.52 109.748 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.66 -111.66 1.15 Allowed Glycine 0 N--CA 1.421 -2.316 0 CA-C-N 115.84 -0.618 . . . . 63.32 112.321 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.3 m -143.04 102.67 4.04 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 120.974 0.416 . . . . 70.22 111.06 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.46 -106.04 3.34 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.744 -0.741 . . . . 24.14 114.306 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 72.13 123.72 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.977 1.311 . . . . 71.13 110.807 -173.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.06 -74.17 2.35 Favored Glycine 0 C--O 1.249 1.041 0 N-CA-C 110.046 -1.222 . . . . 72.52 110.046 -177.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 70.93 -65.8 0.32 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.799 1.64 . . . . 74.53 111.908 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 169.67 64.92 0.04 OUTLIER Glycine 0 N--CA 1.433 -1.545 0 N-CA-C 109.939 -1.265 . . . . 74.43 109.939 -176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.34 174.8 6.11 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.305 -0.628 . . . . 60.32 109.305 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.2 mt -89.96 118.99 36.33 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.143 0 N-CA-C 108.913 -0.773 . . . . 74.54 108.913 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -95.65 -28.73 14.67 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 115.094 -0.957 . . . . 64.51 109.981 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -85.62 172.45 10.9 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.165 -0.925 . . . . 74.33 109.858 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.13 111.08 2.4 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 123.115 0.259 . . . . 62.31 111.241 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' O ' HG13 ' A' ' 83' ' ' ILE . 44.4 mt-30 -59.03 -52.29 66.38 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.197 0.814 . . . . 74.5 113.197 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.0 m -62.49 -45.35 93.41 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-O 121.134 0.492 . . . . 63.1 111.012 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 85' ' ' GLU . . . -61.08 -41.41 96.59 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.613 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.48 99.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 O-C-N 123.244 0.34 . . . . 63.32 111.176 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.8 mt -61.07 -43.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 109.345 -0.613 . . . . 74.23 109.345 177.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 54.8 mtp180 -63.82 -43.12 97.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 75.32 111.814 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 48.2 mt-10 -66.04 -39.76 90.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.667 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -63.15 -43.33 98.64 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.594 -0.891 . . . . 75.02 108.594 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.2 83.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.185 -0.916 . . . . 42.13 110.373 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 39.2 mmt180 -59.86 -44.33 94.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 71.43 110.616 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 99.5 mtt180 -63.47 -38.32 90.67 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.629 0.728 . . . . 74.13 112.025 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -90.08 -10.7 43.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.152 -0.931 . . . . 73.14 112.804 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.04 34.65 9.62 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.283 -0.96 . . . . 61.52 112.45 175.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -95.9 141.06 29.79 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.598 -0.519 . . . . 60.34 109.598 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -84.85 99.44 10.92 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.368 0.604 . . . . 71.04 112.459 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 65.0 t -118.84 114.23 44.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 106.395 -1.706 . . . . 60.44 106.395 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.445 ' OG ' ' HG2' ' A' ' 97' ' ' ARG . 27.1 t -82.47 153.6 25.54 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 120.947 0.403 . . . . 54.11 110.124 -177.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 p -81.71 4.81 20.47 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 123.678 0.791 . . . . 71.43 110.861 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' HG2' ' OG ' ' A' ' 95' ' ' SER . 22.6 mmm180 -65.54 -42.47 91.92 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.674 -0.694 . . . . 72.45 109.321 176.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 142.26 146.15 4.6 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.569 -0.824 . . . . 73.4 112.11 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 99' ' ' ARG 0.255 35.5 mmt180 79.01 125.93 0.04 OUTLIER 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 125.956 1.702 . . . . 65.3 114.945 177.423 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.1 mt -84.62 128.54 60.83 Favored Pre-proline 0 N--CA 1.427 -1.595 0 CA-C-N 114.268 -1.333 . . . . 72.12 108.13 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.67 136.56 54.53 Favored 'Trans proline' 0 C--O 1.254 1.313 0 C-N-CA 122.267 1.978 . . . . 70.33 111.341 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.11 -29.42 65.49 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.997 0.919 . . . . 43.11 110.657 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.8 -43.86 94.24 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 124.023 0.827 . . . . 72.11 109.759 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.5 t -72.99 -40.79 59.64 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 CA-C-N 114.996 -1.002 . . . . 63.44 109.054 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.63 -40.3 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 115.744 -0.662 . . . . 70.14 110.247 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.33 -49.19 67.81 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.546 -0.752 . . . . 75.04 109.908 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.4 98.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.106 -0.952 . . . . 55.44 110.459 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -57.02 -54.09 50.69 Favored 'General case' 0 C--O 1.198 -1.61 0 CA-C-N 115.598 -0.728 . . . . 72.52 109.827 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.33 -22.02 62.85 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.618 0.97 . . . . 72.03 113.618 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.03 39.33 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.768 -0.196 . . . . 75.0 111.363 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -102.6 -31.47 10.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 122.036 0.922 . . . . 60.11 110.566 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.391 -3.394 0 CA-C-N 114.564 -1.198 . . . . 71.34 111.108 -169.734 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 108.984 -0.747 . . . . 71.04 108.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 t -123.8 99.8 6.45 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.81 -0.811 . . . . 71.33 108.81 175.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.62 99.28 2.36 Favored Glycine 0 N--CA 1.424 -2.147 0 N-CA-C 109.501 -1.44 . . . . 71.53 109.501 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -144.45 149.65 36.35 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 122.565 -0.374 . . . . 74.44 110.234 -178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.66 76.58 0.33 Allowed Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 110.06 -1.216 . . . . 62.45 110.06 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -63.69 139.58 58.78 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.124 0.488 . . . . 64.33 111.676 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.58 -60.0 0.48 Allowed Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 110.166 -1.174 . . . . 72.41 110.166 -177.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 63.42 -91.65 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.384 1.074 . . . . 74.13 111.292 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -128.23 10.64 6.53 Favored Glycine 0 N--CA 1.435 -1.388 0 N-CA-C 110.808 -0.917 . . . . 61.24 110.808 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.28 170.8 15.64 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.195 0.521 . . . . 73.54 110.022 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 58.5 mt -98.87 104.95 16.64 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.601 0.715 . . . . 63.41 109.986 -174.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.15 -56.46 3.91 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 114.469 -1.241 . . . . 61.15 109.434 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -95.55 121.48 37.29 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.287 -1.005 . . . . 61.24 108.287 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -49.21 148.87 2.29 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 114.829 1.418 . . . . 72.31 114.829 -172.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.587 ' O ' HG13 ' A' ' 83' ' ' ILE . 14.9 mm-40 -62.36 -38.38 89.32 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-N 114.585 -1.189 . . . . 75.23 108.999 176.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 m -56.49 -45.07 81.19 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.745 -0.661 . . . . 74.42 110.065 177.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.93 96.64 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.838 -0.619 . . . . 43.25 109.983 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.73 94.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.561 -0.745 . . . . 35.54 111.704 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 79' ' ' GLN . 70.3 mt -62.02 -42.0 93.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.141 -0.689 . . . . 71.23 109.141 177.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -63.41 -44.77 93.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.002 -0.544 . . . . 73.41 111.111 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.44 -45.26 94.32 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.293 0.371 . . . . 74.51 111.049 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -62.78 -42.14 99.56 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.27 -0.641 . . . . 72.41 109.27 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -60.08 -48.45 81.66 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.525 -0.761 . . . . 74.4 110.186 177.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -68.16 -27.18 66.2 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 111.881 0.326 . . . . 70.41 111.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -71.89 -36.36 70.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.846 0.355 . . . . 75.33 110.909 174.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -90.43 -19.74 23.56 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.535 0.568 . . . . 74.44 112.535 -176.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.52 30.42 6.55 Favored Glycine 0 N--CA 1.439 -1.137 0 C-N-CA 121.136 -0.554 . . . . 63.22 112.551 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.435 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 73.4 m-70 -99.39 117.17 33.24 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.471 -0.937 . . . . 71.44 108.471 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -86.83 86.07 7.31 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.341 -0.543 . . . . 75.43 109.806 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 m -68.29 145.66 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 N-CA-C 113.528 0.936 . . . . 75.34 113.528 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.0 t -73.88 125.98 29.4 Favored 'General case' 0 N--CA 1.423 -1.796 0 CA-C-N 114.678 -1.146 . . . . 72.4 109.807 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.1 p -101.82 12.69 36.62 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 122.561 1.172 . . . . 51.54 108.568 173.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.31 93.89 5.22 Favored 'General case' 0 N--CA 1.42 -1.937 0 CA-C-N 114.279 -1.328 . . . . 72.32 107.52 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.65 -102.35 2.26 Favored Glycine 0 N--CA 1.426 -2.03 0 N-CA-C 109.4 -1.48 . . . . 42.41 109.4 -175.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -140.56 173.66 11.27 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 109.915 -0.402 . . . . 64.11 109.915 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.51 134.91 88.53 Favored Pre-proline 0 C--N 1.312 -1.037 0 O-C-N 123.896 0.748 . . . . 64.03 109.709 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.5 130.74 36.93 Favored 'Trans proline' 0 C--O 1.259 1.53 0 C-N-CA 122.783 2.322 . . . . 72.03 112.096 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.41 -32.89 51.73 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 123.78 0.832 . . . . 71.11 111.307 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -45.82 78.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.178 0.591 . . . . 62.02 110.686 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.22 -33.54 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-N 115.994 -0.548 . . . . 61.54 109.576 -178.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.57 -44.07 98.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.3 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.64 -40.1 76.71 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 110.085 -0.339 . . . . 75.54 110.085 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.57 95.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 72.01 110.177 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -60.05 -55.78 29.72 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.346 0.659 . . . . 72.03 110.634 177.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -67.06 -22.11 65.87 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 112.713 0.635 . . . . 60.24 112.713 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.4 20.01 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.725 0.298 . . . . 63.33 110.42 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.71 36.16 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.585 0.587 . . . . 60.53 112.585 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 118.572 -0.728 . . . . 64.11 110.29 -177.757 . . . . . . . . 0 0 . 1 stop_ save_